Methyl lithocholate
TL;DR: Methyl lithocholate (CAS 1249-75-8) is a chemical compound with molecular formula C25H42O3 and molecular weight 390.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 lithocholate, Methyl isolithocholate, methyl 5, A-lithocholate, Lithocholic acid methyl
| Molecular Formula | C25H42O3 |
|---|---|
| Molecular Weight | 390.31 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.3134 |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 1249-75-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | YXZVCZUDUJEPPK-ULCLHEGSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl lithocholate (CAS 1249-75-8), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 lithocholate
Property Insights of Methyl lithocholate
The XLogP value of 6.6 indicates that Methyl lithocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl lithocholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl lithocholate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl lithocholate?
The CAS number of Methyl lithocholate is 1249-75-8.
What is the molecular formula of Methyl lithocholate?
The molecular formula of Methyl lithocholate is C25H42O3.
What is the molecular weight of Methyl lithocholate?
The molecular weight of Methyl lithocholate is 390.31 g/mol.
Where can I buy Methyl lithocholate?
You can request a quote for Methyl lithocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl lithocholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl lithocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.