Allylestrenol - 10mM in DMSO , CAS No.432-60-0

CAS: 432-60-0 Cat. No.: A423953 Molecular Weight: 300.48 EC Number: 207-082-9
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
17-Hydroxy-17-alpha-allyl-4-estrene | Alilestrenol [INN-Spanish] | Allilestrenolo | Tox21_111718 | Q531965 | ALLYLESTRENOL [WHO-DD] | AKOS015964938 | WLN: L E5 B666 MUTJ E1 FQ F2U1 | 1,3-di(4-methoxyphenyl)propane-1,3-dione | (17beta)-17-prop-2-en-1-ylest
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
A423953-1ml
2

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$69.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
17-Hydroxy-17-alpha-allyl-4-estrene | Alilestrenol [INN-Spanish] | Allilestrenolo | Tox21_111718 | Q531965 | ALLYLESTRENOL [WHO-DD] | AKOS015964938 | WLN: L E5 B666 MUTJ E1 FQ F2U1 | 1, 3-di(4-methoxyphenyl)propane-1, 3-dione | (17beta)-17-prop-2-en-1-ylest
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34
IUPAC Name(8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
InChIKeyATXHVCQZZJYMCF-XUDSTZEESA-N
INCHI1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=CCCC[C@H]34
Molecular Weight 300.48
Reaxy-Rn 25807395
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25807395&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassEstrane steroids
Intermediate Tree Nodes Not available
Direct ParentEstrane steroids
Alternative Parents 17-hydroxysteroids  Delta-4-steroids  Tertiary alcohols  Cyclic alcohols and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents 17-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Delta-4-steroid - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 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
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Refractive Index1.552
Specific Rotation[α]36° (C=1,CHCl3)
Flash Point(°C)170.6ºC
Boil Point(°C)405.4ºC
Melt Point(°C)78 - 81ºC
Molecular Weight300.500 g/mol
XLogP35.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass300.245 Da
Monoisotopic Mass300.245 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count22
Formal Charge0
Complexity492.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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