(3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid
TL;DR: (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid (CAS 4057-84-5) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: lithocholic acid acetate, LCA acetate, ACETYLLITHOCHOLIC ACID, Lithocholic acid 3-acetate, ACETYLLITHOCHOLICACID
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 6.0779 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 673.94476 |
Chemical Identifiers
| CAS Number | 4057-84-5 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C |
Product Overview
(3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid (CAS 4057-84-5), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid
Property Insights of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid
The XLogP value of 6.0779 indicates that (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid. Following Lipinski's Rule of Five, (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid?
The CAS number of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid is 4057-84-5.
What is the molecular formula of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid?
The molecular formula of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid is C26H42O4.
What is the molecular weight of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid?
The molecular weight of (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid is 418.31 g/mol.
Where can I buy (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid?
You can request a quote for (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid?
Yes, KEHONG BIO provides custom synthesis services for (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.