ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-
TL;DR: ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- (CAS 68159-85-3) is a chemical compound with molecular formula C21H29FO2S2 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: SQ 14,150, ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-, (11-beta)-17,17-Bis(methylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one, (10-beta,13-beta)-17,17-Bis(methylthio)-9-alpha-fluoro-11-beta-hydroxyandrosta-1,4-dien-3-one, 9-Fluoro-11beta-hydroxy-17,17-bis(methylsulfanyl)androsta-1,4-dien-3-one
| Molecular Formula | C21H29FO2S2 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.1593 |
| Heavy Atoms | 26 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 68159-85-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CCC2(SC)SC)CCC4=CC(=O)C=C[C@@]43C)F)O |
| InChIKey | KQBDCBFJWHSHIP-WVBSATCKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- (CAS 68159-85-3), with molecular formula C21H29FO2S2 and molecular weight 396.16 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-
Property Insights of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-
The XLogP value of 4.0 indicates that ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- 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 ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-. Following Lipinski's Rule of Five, ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- 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 ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-?
The CAS number of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- is 68159-85-3.
What is the molecular formula of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-?
The molecular formula of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- is C21H29FO2S2.
What is the molecular weight of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-?
The molecular weight of ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- is 396.16 g/mol.
Where can I buy ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-?
You can request a quote for ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-?
Yes, KEHONG BIO provides custom synthesis services for ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.