5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester
TL;DR: 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester (CAS 27240-83-1) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-acetyloxy-12-hydroxy-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: 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester, Methyl 3-acetyloxy-12-hydroxydeoxycholan-24-ate, A-Cholanic acid-3, A,12, A-diol 3-acetate methyl ester
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 5.1371 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 720.83527 |
Chemical Identifiers
| CAS Number | 27240-83-1 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)O)C |
Product Overview
5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester (CAS 27240-83-1), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: methyl 4-(3-acetyloxy-12-hydroxy-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 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester
Property Insights of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester
The XLogP value of 5.1371 indicates that 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester. Following Lipinski's Rule of Five, 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester?
The CAS number of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester is 27240-83-1.
What is the molecular formula of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester?
The molecular formula of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester is C27H44O5.
What is the molecular weight of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester?
The molecular weight of 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester is 448.32 g/mol.
Where can I buy 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester?
You can request a quote for 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.