3-Sulfanylandrost-5-en-17-one
TL;DR: 3-Sulfanylandrost-5-en-17-one (CAS 3460-91-1) is a chemical compound with molecular formula C19H28OS and molecular weight 304.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-sulfanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Also Known As: 3-sulfanylandrost-5-en-17-one, KST-1A4042, 3beta-Sulfanylandrost-5-en-17-one, (3, A)-3-sulfanylandrost-5-en-17-one
| Molecular Formula | C19H28OS |
|---|---|
| Molecular Weight | 304.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.1861 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 3460-91-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)S)C |
| InChIKey | CMEUHNLSLLIOEE-USOAJAOKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Sulfanylandrost-5-en-17-one (CAS 3460-91-1), with molecular formula C19H28OS and molecular weight 304.19 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-sulfanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Sulfanylandrost-5-en-17-one
Property Insights of 3-Sulfanylandrost-5-en-17-one
The XLogP value of 4.2 indicates that 3-Sulfanylandrost-5-en-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Sulfanylandrost-5-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sulfanylandrost-5-en-17-one has 1 hydrogen bond donor(s) and 2 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 3-Sulfanylandrost-5-en-17-one?
The CAS number of 3-Sulfanylandrost-5-en-17-one is 3460-91-1.
What is the molecular formula of 3-Sulfanylandrost-5-en-17-one?
The molecular formula of 3-Sulfanylandrost-5-en-17-one is C19H28OS.
What is the molecular weight of 3-Sulfanylandrost-5-en-17-one?
The molecular weight of 3-Sulfanylandrost-5-en-17-one is 304.19 g/mol.
Where can I buy 3-Sulfanylandrost-5-en-17-one?
You can request a quote for 3-Sulfanylandrost-5-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfanylandrost-5-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfanylandrost-5-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.