(11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one
TL;DR: (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one (CAS 68522-13-4) is a chemical compound with molecular formula C23H33FO2S2 and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S)-17,17-bis(ethylsulfanyl)-9-fluoro-11-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: SQ 24,043, (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one, (10-beta,13-beta)-17,17-Bis(ethylthio)-9-alpha-fluoro-11-beta-hydroxyandrosta-1,4-dien-3-one, ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(ETHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-, 17,17-Bis(ethylsulfanyl)-9-fluoro-11beta-hydroxyandrosta-1,4-dien-3-one
| Molecular Formula | C23H33FO2S2 |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1906 |
| Heavy Atoms | 28 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 68522-13-4 |
|---|---|
| SMILES | CCSC1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)SCC |
| InChIKey | NSMHQHBRQUQTHM-JYAZKYGWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one (CAS 68522-13-4), with molecular formula C23H33FO2S2 and molecular weight 424.19 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S)-17,17-bis(ethylsulfanyl)-9-fluoro-11-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one
Property Insights of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one
The XLogP value of 4.7 indicates that (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one. Following Lipinski's Rule of Five, (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one has 1 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 (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one?
The CAS number of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one is 68522-13-4.
What is the molecular formula of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one?
The molecular formula of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one is C23H33FO2S2.
What is the molecular weight of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one?
The molecular weight of (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one is 424.19 g/mol.
Where can I buy (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one?
You can request a quote for (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for (11-beta)-17,17-Bis(ethylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.