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

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

COA

Grade & Purity:

≥98%

Cas Number: 1449-61-2
Molecular Weight: 344.44
PubChem CID: 9798229

In stock

Item Number

A190957

Grouped product items
SKU	Size	Availability	Price	Qty
A190957-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90
A190957-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,179.90

Basic Description

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%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Steroid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Steroid esters
Intermediate Tree Nodes	Not available
Direct Parent	Steroid 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 Framework	Aliphatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	InChI=1S/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
InChIKey	VVSMJVQHDZUPIL-XFKPDKBWSA-N
Smiles	CC(=O)OC1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CCC4=O)C)C
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	344.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	344.199 Da
Monoisotopic Mass	344.199 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	677.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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