坎利酸
TL;DR: 坎利酸 (CAS 4138-96-9) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
坎利酸
3-(17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
Also Known As: Canrenoic acid, CANRENOATE POTASSIUM, 17-Hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylic acid, 3-(17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid, 17-Hydroxy-3-oxo-17.alpha.-pregna-4,6-diene-21-carboxylic acid
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 4138-96-9 |
|---|---|
| SMILES | CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C |
| InChIKey | PBKZPPIHUVSDNM-UHFFFAOYSA-N |
Product Overview
坎利酸 (CAS 4138-96-9), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 3-(17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid.
Chemical Property Profile of 坎利酸
Property Insights of 坎利酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 坎利酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 坎利酸. Following Lipinski's Rule of Five, 坎利酸 has 2 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 坎利酸?
The CAS number of 坎利酸 is 4138-96-9.
What is the molecular formula of 坎利酸?
The molecular formula of 坎利酸 is C22H30O4.
What is the molecular weight of 坎利酸?
The molecular weight of 坎利酸 is 358.21 g/mol.
Where can I buy 坎利酸?
You can request a quote for 坎利酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 坎利酸?
Yes, KEHONG BIO provides custom synthesis services for 坎利酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.