9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
TL;DR: 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione (CAS 38615-39-3) is a chemical compound with molecular formula C21H29FO3 and molecular weight 348.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: NIOSH/TU5024100, 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione, 11beta-Hydroxy-9alpha-fluoroprogesterone, A-hydroxy-9, A-fluoroprogesterone
| Molecular Formula | C21H29FO3 |
|---|---|
| Molecular Weight | 348.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.21008 |
| Heavy Atoms | 25 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 38615-39-3 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C |
| InChIKey | JSGVCWDJNUVILL-VTZQMFNYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione (CAS 38615-39-3), with molecular formula C21H29FO3 and molecular weight 348.21 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
Property Insights of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione 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 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione?
The CAS number of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione is 38615-39-3.
What is the molecular formula of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione?
The molecular formula of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione is C21H29FO3.
What is the molecular weight of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione?
The molecular weight of 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione is 348.21 g/mol.
Where can I buy 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione?
You can request a quote for 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.