Cortolic acid
TL;DR: Cortolic acid (CAS 54692-48-7) is a chemical compound with molecular formula C21H34O6 and molecular weight 382.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Also Known As: Cortolic acid, A-cortolic acid, KST-1A5937, KST-1A5938, 3,11,17,20-tetrahydroxypregnan-21-oic acid
| Molecular Formula | C21H34O6 |
|---|---|
| Molecular Weight | 382.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.23553 |
| Heavy Atoms | 27 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 54692-48-7 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](C(=O)O)O)O)C)O)O |
| InChIKey | OLMLRNWYSYNMBM-RIEHMIHFSA-N |
Product Overview
Cortolic acid (CAS 54692-48-7), with molecular formula C21H34O6 and molecular weight 382.24 g/mol. IUPAC: (2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid.
Chemical Property Profile of Cortolic acid
Property Insights of Cortolic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortolic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cortolic acid. Following Lipinski's Rule of Five, Cortolic acid has 5 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 Cortolic acid?
The CAS number of Cortolic acid is 54692-48-7.
What is the molecular formula of Cortolic acid?
The molecular formula of Cortolic acid is C21H34O6.
What is the molecular weight of Cortolic acid?
The molecular weight of Cortolic acid is 382.24 g/mol.
Where can I buy Cortolic acid?
You can request a quote for Cortolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cortolic acid?
Yes, KEHONG BIO provides custom synthesis services for Cortolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.