6alpha-Fluorohydrocortisone 21-acetate
TL;DR: 6alpha-Fluorohydrocortisone 21-acetate (CAS 1058-55-5) is a chemical compound with molecular formula C23H31FO6 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 6alpha-Fluorohydrocortisone 21-acetate, 6.alpha.-Fluorohydrocortisone 21-acetate, Pregn-4-ene-3,20-dione, 21-(acetyloxy)-6-fluoro-11,17-dihydroxy-, (6.alpha.,11.beta.)-, Pregn-4-ene-3,20-dione, 6.alpha.-fluoro-11.beta.,17,21-trihydroxy-, 21-acetate, [2-(6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
| Molecular Formula | C23H31FO6 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 2.3004 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.21048 |
| Heavy Atoms | 30 |
| Complexity | 822.511 |
Chemical Identifiers
| CAS Number | 1058-55-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)CCC34C)F)O)C)O |
Product Overview
6alpha-Fluorohydrocortisone 21-acetate (CAS 1058-55-5), with molecular formula C23H31FO6 and molecular weight 422.21 g/mol. IUPAC: [2-(6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 6alpha-Fluorohydrocortisone 21-acetate
Property Insights of 6alpha-Fluorohydrocortisone 21-acetate
The XLogP value of 2.3004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6alpha-Fluorohydrocortisone 21-acetate. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6alpha-Fluorohydrocortisone 21-acetate. Following Lipinski's Rule of Five, 6alpha-Fluorohydrocortisone 21-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 6alpha-Fluorohydrocortisone 21-acetate?
The CAS number of 6alpha-Fluorohydrocortisone 21-acetate is 1058-55-5.
What is the molecular formula of 6alpha-Fluorohydrocortisone 21-acetate?
The molecular formula of 6alpha-Fluorohydrocortisone 21-acetate is C23H31FO6.
What is the molecular weight of 6alpha-Fluorohydrocortisone 21-acetate?
The molecular weight of 6alpha-Fluorohydrocortisone 21-acetate is 422.21 g/mol.
Where can I buy 6alpha-Fluorohydrocortisone 21-acetate?
You can request a quote for 6alpha-Fluorohydrocortisone 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha-Fluorohydrocortisone 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 6alpha-Fluorohydrocortisone 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.