Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-
TL;DR: Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- (CAS 10538-55-3) 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-[(3R,5S,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: Ursodeoxycholic Acid Methyl Ester, Methyl Ursodeoxycholate, ursodeoxycholate methyl ester, Methyl 3,7-dihydroxycholanate, 24-O-methylursodeoxycholic acid
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 4.5663 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 619.94464 |
Chemical Identifiers
| CAS Number | 10538-55-3 |
|---|---|
| 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 |
Product Overview
Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- (CAS 10538-55-3), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,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 Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-
Property Insights of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-
The XLogP value of 4.5663 indicates that Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-. Following Lipinski's Rule of Five, Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- 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 Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-?
The CAS number of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- is 10538-55-3.
What is the molecular formula of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-?
The molecular formula of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- is C25H42O4.
What is the molecular weight of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-?
The molecular weight of Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- is 406.31 g/mol.
Where can I buy Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-?
You can request a quote for Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.