Methyl 5-beta-cholan-24-oate
TL;DR: Methyl 5-beta-cholan-24-oate (CAS 2204-14-0) is a chemical compound with molecular formula C25H42O2 and molecular weight 374.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(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 cholanate, METHYL 5-BETA-CHOLAN-24-OATE, 5.beta.-Cholan-24-oic acid, methyl ester, Cholan-24-oic acid, methyl ester, (5.beta.)-, methyl 4-(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 | C25H42O2 |
|---|---|
| Molecular Weight | 374.32 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.31848 |
| Heavy Atoms | 27 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 2204-14-0 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
| InChIKey | YHTRVWPOAJKWBV-UHFFFAOYSA-N |
Product Overview
Methyl 5-beta-cholan-24-oate (CAS 2204-14-0), with molecular formula C25H42O2 and molecular weight 374.32 g/mol. IUPAC: methyl 4-(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 5-beta-cholan-24-oate
Property Insights of Methyl 5-beta-cholan-24-oate
The XLogP value of 8.3 indicates that Methyl 5-beta-cholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-beta-cholan-24-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-beta-cholan-24-oate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-beta-cholan-24-oate?
The CAS number of Methyl 5-beta-cholan-24-oate is 2204-14-0.
What is the molecular formula of Methyl 5-beta-cholan-24-oate?
The molecular formula of Methyl 5-beta-cholan-24-oate is C25H42O2.
What is the molecular weight of Methyl 5-beta-cholan-24-oate?
The molecular weight of Methyl 5-beta-cholan-24-oate is 374.32 g/mol.
Where can I buy Methyl 5-beta-cholan-24-oate?
You can request a quote for Methyl 5-beta-cholan-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 5-beta-cholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-beta-cholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.