Betamethasone 9,11-epoxide
TL;DR: Betamethasone 9,11-epoxide (CAS 981-34-0) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: Betamethasone 9,11-Epoxide, 16-beta Methyl Epoxide, Betamethasone EP Impurity E, Dexamethasone 9-11 epoxide, 16BETA-METHYL EPOXIDE
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 981-34-0 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C |
| InChIKey | GBDXNHBVYAMODG-DEGNENOVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Betamethasone 9,11-epoxide (CAS 981-34-0), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: (1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of Betamethasone 9,11-epoxide
Property Insights of Betamethasone 9,11-epoxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betamethasone 9,11-epoxide. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Betamethasone 9,11-epoxide. Following Lipinski's Rule of Five, Betamethasone 9,11-epoxide 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 Betamethasone 9,11-epoxide?
The CAS number of Betamethasone 9,11-epoxide is 981-34-0.
What is the molecular formula of Betamethasone 9,11-epoxide?
The molecular formula of Betamethasone 9,11-epoxide is C22H28O5.
What is the molecular weight of Betamethasone 9,11-epoxide?
The molecular weight of Betamethasone 9,11-epoxide is 372.19 g/mol.
Where can I buy Betamethasone 9,11-epoxide?
You can request a quote for Betamethasone 9,11-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betamethasone 9,11-epoxide?
Yes, KEHONG BIO provides custom synthesis services for Betamethasone 9,11-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.