21-脱氧可的松
TL;DR: 21-脱氧可的松 (CAS 1882-82-2) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-脱氧可的松
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 21-Deoxycortisone, 21-Deoxy Cortisone, deoxycortisone, Fulvicacid, 21-Desoxycortisone
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 1882-82-2 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | PUKLDDOGISCFCP-JSQCKWNTSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-脱氧可的松 (CAS 1882-82-2), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 21-脱氧可的松
Property Insights of 21-脱氧可的松
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-脱氧可的松. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-脱氧可的松. Following Lipinski's Rule of Five, 21-脱氧可的松 has 1 hydrogen bond donor(s) and 4 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 21-脱氧可的松?
The CAS number of 21-脱氧可的松 is 1882-82-2.
What is the molecular formula of 21-脱氧可的松?
The molecular formula of 21-脱氧可的松 is C21H28O4.
What is the molecular weight of 21-脱氧可的松?
The molecular weight of 21-脱氧可的松 is 344.20 g/mol.
Where can I buy 21-脱氧可的松?
You can request a quote for 21-脱氧可的松 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-脱氧可的松?
Yes, KEHONG BIO provides custom synthesis services for 21-脱氧可的松 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.