9-Fluorodeoxycorticosterone
TL;DR: 9-Fluorodeoxycorticosterone (CAS 3820-06-2) 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,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 9-Fluorodeoxycorticosterone, 9-Fluoro-21-hydroxypregn-4-ene-3,20-dione, (9xi)-9-Fluoro-21-hydroxypregn-4-ene-3,20-dione, (8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H29FO3 |
|---|---|
| Molecular Weight | 348.21 g/mol |
| LogP | 3.788 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.21008 |
| Heavy Atoms | 25 |
| Complexity | 655.5266 |
Chemical Identifiers
| CAS Number | 3820-06-2 |
|---|---|
| SMILES | C[C@]12CCC3([C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@@]43C)F |
Product Overview
9-Fluorodeoxycorticosterone (CAS 3820-06-2), with molecular formula C21H29FO3 and molecular weight 348.21 g/mol. IUPAC: (8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9-Fluorodeoxycorticosterone
Property Insights of 9-Fluorodeoxycorticosterone
The XLogP value of 3.788 indicates that 9-Fluorodeoxycorticosterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 9-Fluorodeoxycorticosterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluorodeoxycorticosterone has 1 hydrogen bond donor(s) and 3 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 9-Fluorodeoxycorticosterone?
The CAS number of 9-Fluorodeoxycorticosterone is 3820-06-2.
What is the molecular formula of 9-Fluorodeoxycorticosterone?
The molecular formula of 9-Fluorodeoxycorticosterone is C21H29FO3.
What is the molecular weight of 9-Fluorodeoxycorticosterone?
The molecular weight of 9-Fluorodeoxycorticosterone is 348.21 g/mol.
Where can I buy 9-Fluorodeoxycorticosterone?
You can request a quote for 9-Fluorodeoxycorticosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluorodeoxycorticosterone?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluorodeoxycorticosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.