Androst-5-en-3-ol-7,17-dione acetate - ≥98% , CAS No.1449-61-2

CAS: 1449-61-2 Cat. No.: A190957 Molecular Weight: 344.44 EC Number: 683-490-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
BCP10783 | SCHEMBL4326991 | 7-KETO-DEHYDROEPIANDROSTERONE ACETATE [WHO-DD] | 5-Androsten-3-beta-ol-7,17-dione acetate | 5-Androsten-3beta-ol-7,17-dione acetate | TimTec1_000144 | 7-Oxodehydroepiandrosterone acetate | 7-Oxodehydroepiandrosterone 3-acetate
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A190957-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$105.90
25g
A190957-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$242.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

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

Specifications

Synonyms
BCP10783 | SCHEMBL4326991 | 7-KETO-DEHYDROEPIANDROSTERONE ACETATE [WHO-DD] | 5-Androsten-3-beta-ol-7, 17-dione acetate | 5-Androsten-3beta-ol-7, 17-dione acetate | TimTec1_000144 | 7-Oxodehydroepiandrosterone acetate | 7-Oxodehydroepiandrosterone 3-acetate
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(=O)OC1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CCC4=O)C)C
IUPAC Name[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyVVSMJVQHDZUPIL-XFKPDKBWSA-N
INCHI1S/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15-,16-,19-,20-,21-/m0/s1
Isomeric SMILES CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CCC4=O)C)C
Molecular Weight 344.44
Reaxy-Rn 2064764
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064764&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
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassSteroid esters
Intermediate Tree Nodes Not available
Direct ParentSteroid esters
Alternative Parents Androstane steroids  7-oxosteroids  17-oxosteroids  Delta-5-steroids  Cyclohexenones  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Steroid ester - Androstane-skeleton - 17-oxosteroid - 7-oxosteroid - Oxosteroid - Delta-5-steroid - Cyclohexenone - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
Molecular Weight344.400 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass344.199 Da
Monoisotopic Mass344.199 Da
Topological Polar Surface Area60.400 Ų
Heavy Atom Count25
Formal Charge0
Complexity677.000
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
Reviews

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