(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
TL;DR: (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester (CAS 10452-63-8) is a chemical compound with molecular formula C29H43BrO7 and molecular weight 582.21924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3,12-diacetyloxy-6-bromo-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester, methyl 4-(3,12-diacetyloxy-6-bromo-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Technical Specifications
| Molecular Formula | C29H43BrO7 |
| Molecular Weight | 582.21924 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.21924 Da |
| Heavy Atoms | 37 |
| Complexity | 935.0 |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(=O)C(C4C3(CCC(C4)OC(=O)C)C)Br)OC(=O)C)C |
| InChIKey | MAIKGBHVJKDTPG-UHFFFAOYSA-N |
Chemical Property Profile of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
Property Insights of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
The XLogP value of 5.7 indicates that (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester. Following Lipinski's Rule of Five, (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester?
The CAS number of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester is 10452-63-8.
What is the molecular formula of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester?
The molecular formula of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester is C29H43BrO7.
What is the molecular weight of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester?
The molecular weight of (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester is 582.21924 g/mol.
Where can I buy (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester?
You can request a quote for (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.