Cholate
TL;DR: Cholate (CAS 298-43-1) is a chemical compound with molecular formula C24H39O5- and molecular weight 407.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: cholate, Cholates, cholic acid, Cholic acidanion, 3qps
| Molecular Formula | C24H39O5- |
|---|---|
| Molecular Weight | 407.28 g/mol |
| LogP | 2.114 |
| Topological Polar Surface Area | 100.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.27975 |
| Heavy Atoms | 29 |
| Complexity | 636.76056 |
Chemical Identifiers
| CAS Number | 298-43-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
Cholate (CAS 298-43-1), with molecular formula C24H39O5- and molecular weight 407.28 g/mol. IUPAC: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Cholate
Property Insights of Cholate
The XLogP value of 2.114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholate. The TPSA of 100.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholate. Following Lipinski's Rule of Five, Cholate has 3 hydrogen bond donor(s) and 5 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 Cholate?
The CAS number of Cholate is 298-43-1.
What is the molecular formula of Cholate?
The molecular formula of Cholate is C24H39O5-.
What is the molecular weight of Cholate?
The molecular weight of Cholate is 407.28 g/mol.
Where can I buy Cholate?
You can request a quote for Cholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholate?
Yes, KEHONG BIO provides custom synthesis services for Cholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.