![Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate structure](/static/products/2105/21059-42-7.webp)
Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate
TL;DR: Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate (CAS 21059-42-7) is a chemical compound with molecular formula C28H42O7 and molecular weight 490.29306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-ethoxycarbonyloxy-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-[(ethoxycarbonyl)oxy]-7,12-dioxocholan-24-oate, methyl 4-(3-ethoxycarbonyloxy-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, Methyl 3alpha-((ethoxycarbonyl)oxy)-7,12-dioxo-5beta-cholan-24-oate, 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid methyl ester 3-acetate, methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate
Technical Specifications
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.29306 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.29306 Da |
| Heavy Atoms | 35 |
| Complexity | 867.0 |
| SMILES | CCOC(=O)OC1CCC2(C(C1)CC(=O)C3C2CC(=O)C4(C3CCC4C(C)CCC(=O)OC)C)C |
| InChIKey | ZVEMQMLASDHXDY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate
Property Insights of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate
The XLogP value of 4.6 indicates that Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate 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 Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate. Following Lipinski's Rule of Five, Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate?
The CAS number of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is 21059-42-7.
What is the molecular formula of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate?
The molecular formula of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is C28H42O7.
What is the molecular weight of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate?
The molecular weight of Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is 490.29306 g/mol.
Where can I buy Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate?
You can request a quote for Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate?
Yes, CoreyChem provides custom synthesis services for Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.