6-Fluoro-3,5-dihydroxypregnan-20-one
TL;DR: 6-Fluoro-3,5-dihydroxypregnan-20-one (CAS 1868-98-0) is a chemical compound with molecular formula C21H33FO3 and molecular weight 352.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: 6-fluoro-3,5-dihydroxypregnan-20-one, 1-(6-fluoro-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone
| Molecular Formula | C21H33FO3 |
|---|---|
| Molecular Weight | 352.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.24136 |
| Heavy Atoms | 25 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 1868-98-0 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)F)C |
| InChIKey | BSKXCSHQVSHDCE-UHFFFAOYSA-N |
Product Overview
6-Fluoro-3,5-dihydroxypregnan-20-one (CAS 1868-98-0), with molecular formula C21H33FO3 and molecular weight 352.24 g/mol. IUPAC: 1-(6-fluoro-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone.
Chemical Property Profile of 6-Fluoro-3,5-dihydroxypregnan-20-one
Property Insights of 6-Fluoro-3,5-dihydroxypregnan-20-one
The XLogP value of 3.5 indicates that 6-Fluoro-3,5-dihydroxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 6-Fluoro-3,5-dihydroxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-3,5-dihydroxypregnan-20-one has 2 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-3,5-dihydroxypregnan-20-one?
The CAS number of 6-Fluoro-3,5-dihydroxypregnan-20-one is 1868-98-0.
What is the molecular formula of 6-Fluoro-3,5-dihydroxypregnan-20-one?
The molecular formula of 6-Fluoro-3,5-dihydroxypregnan-20-one is C21H33FO3.
What is the molecular weight of 6-Fluoro-3,5-dihydroxypregnan-20-one?
The molecular weight of 6-Fluoro-3,5-dihydroxypregnan-20-one is 352.24 g/mol.
Where can I buy 6-Fluoro-3,5-dihydroxypregnan-20-one?
You can request a quote for 6-Fluoro-3,5-dihydroxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-3,5-dihydroxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-3,5-dihydroxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.