Cortolonic acid
TL;DR: Cortolonic acid (CAS 5469-20-5) is a chemical compound with molecular formula C21H32O6 and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Cortolonic acid
(2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
Also Known As: Cortolonic acid, A-cortolonic acid, KST-1A5935, KST-1A5936, 3alpha,17,20-Trihydroxy-11-oxopregnan-21-oic acid
| Molecular Formula | C21H32O6 |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.21988 |
| Heavy Atoms | 27 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 5469-20-5 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@H](C(=O)O)O)O)C)O |
| InChIKey | WSGDQTSOKWCQOM-MLKYROJOSA-N |
Product Overview
Cortolonic acid (CAS 5469-20-5), with molecular formula C21H32O6 and molecular weight 380.22 g/mol. IUPAC: (2R)-2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid.
Chemical Property Profile of Cortolonic acid
Property Insights of Cortolonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortolonic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cortolonic acid. Following Lipinski's Rule of Five, Cortolonic acid has 4 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 Cortolonic acid?
The CAS number of Cortolonic acid is 5469-20-5.
What is the molecular formula of Cortolonic acid?
The molecular formula of Cortolonic acid is C21H32O6.
What is the molecular weight of Cortolonic acid?
The molecular weight of Cortolonic acid is 380.22 g/mol.
Where can I buy Cortolonic acid?
You can request a quote for Cortolonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cortolonic acid?
Yes, KEHONG BIO provides custom synthesis services for Cortolonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.