3beta-Acetoxychola-5-ene-24-oic acid methyl ester
TL;DR: 3beta-Acetoxychola-5-ene-24-oic acid methyl ester (CAS 31823-53-7) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 3-acetoxy-5-cholenate, 3beta-Acetoxychola-5-ene-24-oic acid methyl ester, METHYL 3-BETA-ACETOXYCHOL-5-EN-24-OATE, 4-(3-ACO-10,13-DI-ME-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)-PENTANOIC ACID ME ESTER, (4R)-Methyl 4-((3S,10R,13R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanth ren-17-yl)pentanoate
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 31823-53-7 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | FDKJNVMJOZNFQP-UHFFFAOYSA-N |
Product Overview
3beta-Acetoxychola-5-ene-24-oic acid methyl ester (CAS 31823-53-7), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester
Property Insights of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester
The XLogP value of 6.3 indicates that 3beta-Acetoxychola-5-ene-24-oic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3beta-Acetoxychola-5-ene-24-oic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Acetoxychola-5-ene-24-oic acid methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester?
The CAS number of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester is 31823-53-7.
What is the molecular formula of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester?
The molecular formula of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester is C27H42O4.
What is the molecular weight of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester?
The molecular weight of 3beta-Acetoxychola-5-ene-24-oic acid methyl ester is 430.31 g/mol.
Where can I buy 3beta-Acetoxychola-5-ene-24-oic acid methyl ester?
You can request a quote for 3beta-Acetoxychola-5-ene-24-oic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Acetoxychola-5-ene-24-oic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Acetoxychola-5-ene-24-oic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.