Methyl 3,7-dihydroxychol-4-en-24-oate
TL;DR: Methyl 3,7-dihydroxychol-4-en-24-oate (CAS 7696-86-8) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Methyl 3,7-dihydroxychol-4-en-24-oate, Methyl 3alpha,7alpha-dihydroxychol-4-en-24-oate, methyl 3, A-dihydroxychol-4-en-24-oate, methyl 3 alpha,7 alpha-dihydroxychol-4-en-24-oate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 7696-86-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=C[C@@H](CC[C@]34C)O)O)C |
| InChIKey | LEMNKDYZZKCTCV-DCUNTRSVSA-N |
Product Overview
Methyl 3,7-dihydroxychol-4-en-24-oate (CAS 7696-86-8), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Methyl 3,7-dihydroxychol-4-en-24-oate
Property Insights of Methyl 3,7-dihydroxychol-4-en-24-oate
The XLogP value of 4.7 indicates that Methyl 3,7-dihydroxychol-4-en-24-oate 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-dihydroxychol-4-en-24-oate. Following Lipinski's Rule of Five, Methyl 3,7-dihydroxychol-4-en-24-oate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,7-dihydroxychol-4-en-24-oate?
The CAS number of Methyl 3,7-dihydroxychol-4-en-24-oate is 7696-86-8.
What is the molecular formula of Methyl 3,7-dihydroxychol-4-en-24-oate?
The molecular formula of Methyl 3,7-dihydroxychol-4-en-24-oate is C25H40O4.
What is the molecular weight of Methyl 3,7-dihydroxychol-4-en-24-oate?
The molecular weight of Methyl 3,7-dihydroxychol-4-en-24-oate is 404.29 g/mol.
Where can I buy Methyl 3,7-dihydroxychol-4-en-24-oate?
You can request a quote for Methyl 3,7-dihydroxychol-4-en-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 3,7-dihydroxychol-4-en-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,7-dihydroxychol-4-en-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.