Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate
TL;DR: Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate (CAS 7432-44-2) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-3,12-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 -7-acetoxy-3,12-dihydroxycholan-24-oate, Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate, methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,, methyl(3, A,5
| Molecular Formula | C27H44O6 |
|---|---|
| Molecular Weight | 464.31 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.31378 |
| Heavy Atoms | 33 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 7432-44-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OC(=O)C)O)C |
| InChIKey | MQMDKPZWEWBJGP-FZMDYVDPSA-N |
Product Overview
Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate (CAS 7432-44-2), with molecular formula C27H44O6 and molecular weight 464.31 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-3,12-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 (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate
Property Insights of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate
The XLogP value of 4.5 indicates that Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate. Following Lipinski's Rule of Five, Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate has 2 hydrogen bond donor(s) and 6 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 (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate?
The CAS number of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate is 7432-44-2.
What is the molecular formula of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate?
The molecular formula of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate is C27H44O6.
What is the molecular weight of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate?
The molecular weight of Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate is 464.31 g/mol.
Where can I buy Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate?
You can request a quote for Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-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 (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.