Doxibetasol
TL;DR: Doxibetasol (CAS 1879-77-2) is a chemical compound with molecular formula C22H29FO4 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Doxibetasol, Doxibetasolum, DOXYBETASOL, Doxibetasol [INN], Doxibetasol [INN:BAN]
| Molecular Formula | C22H29FO4 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.205 |
| Heavy Atoms | 27 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 1879-77-2 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)F)C |
| InChIKey | IKGBPSZWCRRUQS-DTAAKRQUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doxibetasol (CAS 1879-77-2), with molecular formula C22H29FO4 and molecular weight 376.20 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Doxibetasol
Property Insights of Doxibetasol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxibetasol. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Doxibetasol. Following Lipinski's Rule of Five, Doxibetasol has 2 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 Doxibetasol?
The CAS number of Doxibetasol is 1879-77-2.
What is the molecular formula of Doxibetasol?
The molecular formula of Doxibetasol is C22H29FO4.
What is the molecular weight of Doxibetasol?
The molecular weight of Doxibetasol is 376.20 g/mol.
Where can I buy Doxibetasol?
You can request a quote for Doxibetasol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxibetasol?
Yes, KEHONG BIO provides custom synthesis services for Doxibetasol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.