Hexestrol - analytical standard , CAS No.84-16-2

CAS: 84-16-2 Cat. No.: H109881 Formula: C18H22O2 Molecular Weight: 270.37 EC Number: 201-518-1
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | AB01275505-01 | HEXESTROL [JAN] | SR-05000001509-1 | Dihydro-stilbestro | HY-B1662 | s2473 | Tox21_110377 | NCGC00094818-09 | Phenol,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)- | 3,4-Bis(p-hydroxyphen
Storage
Protected from light,Room temperature
Shipped In
Normal
★
Size
USA
Germany (EU)*
Price
Qty
100mg
H109881-100mg
3 In stock
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$105.90

$124.90
Save $19.00 (15.21%)
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | AB01275505-01 | HEXESTROL [JAN] | SR-05000001509-1 | Dihydro-stilbestro | HY-B1662 | s2473 | Tox21_110377 | NCGC00094818-09 | Phenol,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)- | 3,4-Bis(p-hydroxyphen
Specifications & Purity
analytical standard
Biochemical and Physiological Mechanisms
Nonsteroidal synthetic estrogen compound. Inhibits microtubule polymerization and the formation of ribbon structures. Iron ion-dependent lipid peroxidation inhibitor. Active in vivo.
Storage
Protected from light,Room temperature
Shipped In
Normal
Grade
Analytical standard
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Names and Identifiers
Pubchem Sid
Canonical Smiles
CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
IUPAC Name
4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
InChIKey
PBBGSZCBWVPOOL-HDICACEKSA-N
INCHI
1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
Isomeric SMILES
CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O
UN Number
2811
Molecular Weight
270.37
Reaxy-Rn
2056686
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056686&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Phenylpropanes  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ishikawa (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Estrogen receptor (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
H1504053Certificate of AnalysisFeb 08, 2025 H109881
L2206716Certificate of AnalysisNov 28, 2022 H109881
Chemical and Physical Properties
SensitivityLight sensitive.
Melt Point(°C)185-188°C
Molecular Weight270.400 g/mol
XLogP35.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass270.162 Da
Monoisotopic Mass270.162 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity235.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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