Methyl 3,7-dihydroxycholanate
TL;DR: Methyl 3,7-dihydroxycholanate (CAS 54596-70-2) 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 (4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-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 3,7-dihydroxycholanate, Methyl 3-beta,7-beta-dihydroxy-5-alpha-cholanate, methyl 3, A,7, A-dihydroxy-5
| 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 | 54596-70-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C |
| InChIKey | GRQROVWZGGDYSW-OYXAOJMWSA-N |
Product Overview
Methyl 3,7-dihydroxycholanate (CAS 54596-70-2), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: methyl (4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-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 3,7-dihydroxycholanate
Property Insights of Methyl 3,7-dihydroxycholanate
The XLogP value of 5.2 indicates that Methyl 3,7-dihydroxycholanate 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 3,7-dihydroxycholanate. Following Lipinski's Rule of Five, Methyl 3,7-dihydroxycholanate 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 3,7-dihydroxycholanate?
The CAS number of Methyl 3,7-dihydroxycholanate is 54596-70-2.
What is the molecular formula of Methyl 3,7-dihydroxycholanate?
The molecular formula of Methyl 3,7-dihydroxycholanate is C25H42O4.
What is the molecular weight of Methyl 3,7-dihydroxycholanate?
The molecular weight of Methyl 3,7-dihydroxycholanate is 406.31 g/mol.
Where can I buy Methyl 3,7-dihydroxycholanate?
You can request a quote for Methyl 3,7-dihydroxycholanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,7-dihydroxycholanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,7-dihydroxycholanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.