Methyl Hyodeoxycholate
TL;DR: Methyl Hyodeoxycholate (CAS 2868-48-6) is a chemical compound with molecular formula C25H42O4 and molecular weight 406.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,6-dihydroxy-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 Hyodeoxycholate, Methyl hyodesoxycholate, BAS 00486219, A-Cholanic acid-3, A,6
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 2868-48-6 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C |
| InChIKey | BWDRDVHYVJQWBO-UHFFFAOYSA-N |
Product Overview
Methyl Hyodeoxycholate (CAS 2868-48-6), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: methyl 4-(3,6-dihydroxy-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 Hyodeoxycholate
Property Insights of Methyl Hyodeoxycholate
The XLogP value of 5.2 indicates that Methyl Hyodeoxycholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl Hyodeoxycholate. Following Lipinski's Rule of Five, Methyl Hyodeoxycholate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl Hyodeoxycholate?
The CAS number of Methyl Hyodeoxycholate is 2868-48-6.
What is the molecular formula of Methyl Hyodeoxycholate?
The molecular formula of Methyl Hyodeoxycholate is C25H42O4.
What is the molecular weight of Methyl Hyodeoxycholate?
The molecular weight of Methyl Hyodeoxycholate is 406.31 g/mol.
Where can I buy Methyl Hyodeoxycholate?
You can request a quote for Methyl Hyodeoxycholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Hyodeoxycholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Hyodeoxycholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.