Methyl 12-(acetyloxy)-3-oxocholan-24-oate
TL;DR: Methyl 12-(acetyloxy)-3-oxocholan-24-oate (CAS 7753-75-5) 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-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 3-keto-12-acetoxycholanate, Methyl 12-(acetyloxy)-3-oxocholan-24-oate, 12, A-Acetyloxy-3-oxo-5, A-cholan-24-oic acid methyl ester
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 7753-75-5 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(=O)C4)C)OC(=O)C)C |
| InChIKey | KNHGHMDIHVHLKX-UHFFFAOYSA-N |
Product Overview
Methyl 12-(acetyloxy)-3-oxocholan-24-oate (CAS 7753-75-5), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl 12-(acetyloxy)-3-oxocholan-24-oate
Property Insights of Methyl 12-(acetyloxy)-3-oxocholan-24-oate
The XLogP value of 5.4 indicates that Methyl 12-(acetyloxy)-3-oxocholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 12-(acetyloxy)-3-oxocholan-24-oate. Following Lipinski's Rule of Five, Methyl 12-(acetyloxy)-3-oxocholan-24-oate 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 Methyl 12-(acetyloxy)-3-oxocholan-24-oate?
The CAS number of Methyl 12-(acetyloxy)-3-oxocholan-24-oate is 7753-75-5.
What is the molecular formula of Methyl 12-(acetyloxy)-3-oxocholan-24-oate?
The molecular formula of Methyl 12-(acetyloxy)-3-oxocholan-24-oate is C27H42O5.
What is the molecular weight of Methyl 12-(acetyloxy)-3-oxocholan-24-oate?
The molecular weight of Methyl 12-(acetyloxy)-3-oxocholan-24-oate is 446.30 g/mol.
Where can I buy Methyl 12-(acetyloxy)-3-oxocholan-24-oate?
You can request a quote for Methyl 12-(acetyloxy)-3-oxocholan-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 12-(acetyloxy)-3-oxocholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 12-(acetyloxy)-3-oxocholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.