4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate
TL;DR: 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate (CAS 135754-97-1) is a chemical compound with molecular formula C24H34O4S and molecular weight 418.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylsulfanyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate
Also Known As: 4-(acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate, (4-acetylsulfanyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate, 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate
| Molecular Formula | C24H34O4S |
|---|---|
| Molecular Weight | 418.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.21777 |
| Heavy Atoms | 29 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 135754-97-1 |
|---|---|
| SMILES | CCC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)CCC34C)SC(=O)C)C |
| InChIKey | AJPSTLTYGUDWEO-UHFFFAOYSA-N |
Product Overview
4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate (CAS 135754-97-1), with molecular formula C24H34O4S and molecular weight 418.22 g/mol. IUPAC: (4-acetylsulfanyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate.
Chemical Property Profile of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate
Property Insights of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate
The XLogP value of 4.9 indicates that 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate. Following Lipinski's Rule of Five, 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate?
The CAS number of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate is 135754-97-1.
What is the molecular formula of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate?
The molecular formula of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate is C24H34O4S.
What is the molecular weight of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate?
The molecular weight of 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate is 418.22 g/mol.
Where can I buy 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate?
You can request a quote for 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylsulfanyl)-3-oxoandrost-4-en-17-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.