6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate
TL;DR: 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate (CAS 1525-77-5) is a chemical compound with molecular formula C24H37FO5 and molecular weight 424.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A1702, 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate, [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 6-Fluoro-5,17-dihydroxy-16-methyl-20-oxopregnan-3-yl acetate, (3
| Molecular Formula | C24H37FO5 |
|---|---|
| Molecular Weight | 424.26 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.2625 |
| Heavy Atoms | 30 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 1525-77-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OC(=O)C)O)F |
| InChIKey | NJDYIKQAOCYLKB-MZVKURBCSA-N |
Product Overview
6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate (CAS 1525-77-5), with molecular formula C24H37FO5 and molecular weight 424.26 g/mol. IUPAC: [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate
Property Insights of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate
The XLogP value of 3.4 indicates that 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate. Following Lipinski's Rule of Five, 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate has 2 hydrogen bond donor(s) and 6 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 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate?
The CAS number of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate is 1525-77-5.
What is the molecular formula of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate?
The molecular formula of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate is C24H37FO5.
What is the molecular weight of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate?
The molecular weight of 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate is 424.26 g/mol.
Where can I buy 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate?
You can request a quote for 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 6beta-Fluoro-3beta,5alpha,17-trihydroxy-16alpha-methylpregnan-20-one 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.