Methyl cholate
TL;DR: Methyl cholate (CAS 1448-36-8) is a chemical compound with molecular formula C25H42O5 and molecular weight 422.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5S,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: Methyl cholate, Cholic acid, methyl ester, EC 215-903-7, methyl(3, A,5
| Molecular Formula | C25H42O5 |
|---|---|
| Molecular Weight | 422.30 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.30322 |
| Heavy Atoms | 30 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 1448-36-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | DLYVTEULDNMQAR-DDBSWGDUSA-N |
Product Overview
Methyl cholate (CAS 1448-36-8), with molecular formula C25H42O5 and molecular weight 422.30 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,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 Methyl cholate
Property Insights of Methyl cholate
The XLogP value of 3.9 indicates that Methyl cholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl cholate. Following Lipinski's Rule of Five, Methyl 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 Methyl cholate?
The CAS number of Methyl cholate is 1448-36-8.
What is the molecular formula of Methyl cholate?
The molecular formula of Methyl cholate is C25H42O5.
What is the molecular weight of Methyl cholate?
The molecular weight of Methyl cholate is 422.30 g/mol.
Where can I buy Methyl cholate?
You can request a quote for Methyl cholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.