5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester
TL;DR: 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester (CAS 2616-79-7) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 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-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester, 3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID METHYL ESTER 3-ACETATE, methyl (4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate, methyl 4-(3-acetyloxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 5.3453 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 761.1457 |
Chemical Identifiers
| CAS Number | 2616-79-7 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)OC(=O)C)C)C |
Product Overview
5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester (CAS 2616-79-7), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: methyl 4-(3-acetyloxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester
Property Insights of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester
The XLogP value of 5.3453 indicates that 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester. Following Lipinski's Rule of Five, 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester has 0 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 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester?
The CAS number of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester is 2616-79-7.
What is the molecular formula of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester?
The molecular formula of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester is C27H42O5.
What is the molecular weight of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester?
The molecular weight of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester is 446.30 g/mol.
Where can I buy 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester?
You can request a quote for 5alpha-Cholanic acid-3alpha-ol-6-one 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 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.