6-fluoro-5-hydroxypregnane-3,20-dione
TL;DR: 6-fluoro-5-hydroxypregnane-3,20-dione (CAS 4660-45-1) is a chemical compound with molecular formula C21H31FO3 and molecular weight 350.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-fluoro-5-hydroxypregnane-3,20-dione, 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H31FO3 |
|---|---|
| Molecular Weight | 350.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2257 |
| Heavy Atoms | 25 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 4660-45-1 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC(C4(C3(CCC(=O)C4)C)O)F)C |
| InChIKey | QGTYZUYXCSOOSC-UHFFFAOYSA-N |
Product Overview
6-fluoro-5-hydroxypregnane-3,20-dione (CAS 4660-45-1), with molecular formula C21H31FO3 and molecular weight 350.23 g/mol. IUPAC: 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6-fluoro-5-hydroxypregnane-3,20-dione
Property Insights of 6-fluoro-5-hydroxypregnane-3,20-dione
The XLogP value of 3.1 indicates that 6-fluoro-5-hydroxypregnane-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 6-fluoro-5-hydroxypregnane-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-fluoro-5-hydroxypregnane-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 6-fluoro-5-hydroxypregnane-3,20-dione?
The CAS number of 6-fluoro-5-hydroxypregnane-3,20-dione is 4660-45-1.
What is the molecular formula of 6-fluoro-5-hydroxypregnane-3,20-dione?
The molecular formula of 6-fluoro-5-hydroxypregnane-3,20-dione is C21H31FO3.
What is the molecular weight of 6-fluoro-5-hydroxypregnane-3,20-dione?
The molecular weight of 6-fluoro-5-hydroxypregnane-3,20-dione is 350.23 g/mol.
Where can I buy 6-fluoro-5-hydroxypregnane-3,20-dione?
You can request a quote for 6-fluoro-5-hydroxypregnane-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 6-fluoro-5-hydroxypregnane-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-fluoro-5-hydroxypregnane-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.