Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate
TL;DR: Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate (CAS 7753-73-3) is a chemical compound with molecular formula C27H40O6 and molecular weight 460.28 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-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate, 3-Acetoxy-7,12-dioxo-5-cholan-24-oic acid methyl ester, A-Acetoxy-7,12-dioxo-5, A-cholan-24-oic acid methyl ester, methyl 4-(3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C27H40O6 |
|---|---|
| Molecular Weight | 460.28 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.2825 |
| Heavy Atoms | 33 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 7753-73-3 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | PQSLSYAVSPJIHL-UHFFFAOYSA-N |
Product Overview
Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate (CAS 7753-73-3), with molecular formula C27H40O6 and molecular weight 460.28 g/mol. IUPAC: methyl 4-(3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate
Property Insights of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate
The XLogP value of 3.9 indicates that Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate. Following Lipinski's Rule of Five, Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate?
The CAS number of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate is 7753-73-3.
What is the molecular formula of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate?
The molecular formula of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate is C27H40O6.
What is the molecular weight of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate?
The molecular weight of Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate is 460.28 g/mol.
Where can I buy Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate?
You can request a quote for Methyl 3-(acetyloxy)-7,12-dioxocholan-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 3-(acetyloxy)-7,12-dioxocholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetyloxy)-7,12-dioxocholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.