6alpha-Fluorohydrocortisone 21-acetate
TL;DR: 6alpha-Fluorohydrocortisone 21-acetate (CAS 116208-77-6) 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-[(6S,8S,9S,10R,11S,13S,14S,17R)-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: Cortisol, 21-acetate, 6alpha-Fluorohydrocortisone 21-acetate, 6.alpha.-Fluorohydrocortisone 21-acetate, CORTICOSTERONE, 21-ACETATE, SKI 24492
| Molecular Formula | C23H31FO6 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.21048 |
| Heavy Atoms | 30 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 116208-77-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)F)O)C)O |
| InChIKey | IXQXTLBVUAXXNT-APRQOCPKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6alpha-Fluorohydrocortisone 21-acetate (CAS 116208-77-6), with molecular formula C23H31FO6 and molecular weight 422.21 g/mol. IUPAC: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-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 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6alpha-Fluorohydrocortisone 21-acetate. The TPSA of 101.0 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 7 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 116208-77-6.
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.