Cholates
TL;DR: Cholates (CAS 206986-87-0) 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.
4-(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: Cholates, Sodium cholate hydrate, 3,7,12-trihydroxycholan-24-oate, C24H39O5-, 4-(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
| 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 | 206986-87-0 |
|---|---|
| SMILES | CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
Product Overview
Cholates (CAS 206986-87-0), with molecular formula C24H39O5- and molecular weight 407.28 g/mol. IUPAC: 4-(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 Cholates
Property Insights of Cholates
The XLogP value of 2.114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholates. The TPSA of 100.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholates. Following Lipinski's Rule of Five, Cholates 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 Cholates?
The CAS number of Cholates is 206986-87-0.
What is the molecular formula of Cholates?
The molecular formula of Cholates is C24H39O5-.
What is the molecular weight of Cholates?
The molecular weight of Cholates is 407.28 g/mol.
Where can I buy Cholates?
You can request a quote for Cholates directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholates?
Yes, KEHONG BIO provides custom synthesis services for Cholates and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.