(22S)-Budesonide
TL;DR: (22S)-Budesonide (CAS 51372-28-2) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Also Known As: (22S)-BUDESONIDE, budesonide, Cortivent, Entocort, Micronyl
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 51372-28-2 |
|---|---|
| SMILES | CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C |
| InChIKey | VOVIALXJUBGFJZ-AMTWPJRWSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(22S)-Budesonide (CAS 51372-28-2), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: (1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.
Chemical Property Profile of (22S)-Budesonide
Property Insights of (22S)-Budesonide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (22S)-Budesonide. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (22S)-Budesonide. Following Lipinski's Rule of Five, (22S)-Budesonide 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 (22S)-Budesonide?
The CAS number of (22S)-Budesonide is 51372-28-2.
What is the molecular formula of (22S)-Budesonide?
The molecular formula of (22S)-Budesonide is C25H34O6.
What is the molecular weight of (22S)-Budesonide?
The molecular weight of (22S)-Budesonide is 430.24 g/mol.
Where can I buy (22S)-Budesonide?
You can request a quote for (22S)-Budesonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (22S)-Budesonide?
Yes, KEHONG BIO provides custom synthesis services for (22S)-Budesonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.