S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate
TL;DR: S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate (CAS 84714-46-5) is a chemical compound with molecular formula C22H32O3S and molecular weight 376.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate
Also Known As: NCIOpen2_007621, S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate, S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate
| Molecular Formula | C22H32O3S |
|---|---|
| Molecular Weight | 376.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.2072 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 84714-46-5 |
|---|---|
| SMILES | CCC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)O)C |
| InChIKey | HONIPOFOKOETAA-UHFFFAOYSA-N |
Product Overview
S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate (CAS 84714-46-5), with molecular formula C22H32O3S and molecular weight 376.21 g/mol. IUPAC: S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate.
Chemical Property Profile of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate
Property Insights of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate
The XLogP value of 3.7 indicates that S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate. Following Lipinski's Rule of Five, S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate has 1 hydrogen bond donor(s) and 4 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 S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate?
The CAS number of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate is 84714-46-5.
What is the molecular formula of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate?
The molecular formula of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate is C22H32O3S.
What is the molecular weight of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate?
The molecular weight of S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate is 376.21 g/mol.
Where can I buy S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate?
You can request a quote for S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(17-Hydroxy-3-oxoandrost-4-en-7-yl) propanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.