Methyl 3-hydroxycholan-24-oate
TL;DR: Methyl 3-hydroxycholan-24-oate (CAS 15074-01-8) 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 4-(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, LITHOCHOLIC ACID, lithocholic acid methyl ester, Methyl 3-hydroxycholan-24-oate, EINECS 215-002-9
| 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 | 15074-01-8 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChIKey | YXZVCZUDUJEPPK-UHFFFAOYSA-N |
Product Overview
Methyl 3-hydroxycholan-24-oate (CAS 15074-01-8), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: methyl 4-(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 3-hydroxycholan-24-oate
Property Insights of Methyl 3-hydroxycholan-24-oate
The XLogP value of 6.6 indicates that Methyl 3-hydroxycholan-24-oate 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 3-hydroxycholan-24-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxycholan-24-oate 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 3-hydroxycholan-24-oate?
The CAS number of Methyl 3-hydroxycholan-24-oate is 15074-01-8.
What is the molecular formula of Methyl 3-hydroxycholan-24-oate?
The molecular formula of Methyl 3-hydroxycholan-24-oate is C25H42O3.
What is the molecular weight of Methyl 3-hydroxycholan-24-oate?
The molecular weight of Methyl 3-hydroxycholan-24-oate is 390.31 g/mol.
Where can I buy Methyl 3-hydroxycholan-24-oate?
You can request a quote for Methyl 3-hydroxycholan-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxycholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxycholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.