21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)
TL;DR: 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) (CAS 3185-11-3) is a chemical compound with molecular formula C24H33FO4 and molecular weight 404.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: NIOSH/TU5024400, 6-alpha-Methyl-21-fluoro-17-acetoxyprogesterone, 17-alpha-Acetoxy-21-fluoro-6-alpha-methylprogesterone, 17alpha-Acetoxy-21-fluoro-6alpha-methylprogesterone, 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)
| Molecular Formula | C24H33FO4 |
|---|---|
| Molecular Weight | 404.24 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.2363 |
| Heavy Atoms | 29 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 3185-11-3 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)CF)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C |
| InChIKey | XEQJIVJGTBOOER-USTFCYDESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) (CAS 3185-11-3), with molecular formula C24H33FO4 and molecular weight 404.24 g/mol. IUPAC: [(6S,8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)
Property Insights of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)
The XLogP value of 3.9 indicates that 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester). Following Lipinski's Rule of Five, 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) has 0 hydrogen bond donor(s) and 5 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 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)?
The CAS number of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) is 3185-11-3.
What is the molecular formula of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)?
The molecular formula of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) is C24H33FO4.
What is the molecular weight of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)?
The molecular weight of 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) is 404.24 g/mol.
Where can I buy 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)?
You can request a quote for 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 21-Fluoro-17-alpha-hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.