Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate
TL;DR: Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate (CAS 70779-09-8) is a chemical compound with molecular formula C28H46O6 and molecular weight 478.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-ethoxycarbonyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: EINECS 274-885-9, Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate, Methyl 3-[(ethoxycarbonyl)oxy]-12-hydroxycholan-24-oate, Methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate, 3alpha-[(Ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oic acid methyl ester
| Molecular Formula | C28H46O6 |
|---|---|
| Molecular Weight | 478.33 g/mol |
| LogP | 5.7471 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.32944 |
| Heavy Atoms | 34 |
| Complexity | 753.17834 |
Chemical Identifiers
| CAS Number | 70779-09-8 |
|---|---|
| SMILES | CCOC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C |
Product Overview
Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate (CAS 70779-09-8), with molecular formula C28H46O6 and molecular weight 478.33 g/mol. IUPAC: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-ethoxycarbonyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate
Property Insights of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate
The XLogP value of 5.7471 indicates that Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate. Following Lipinski's Rule of Five, Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate?
The CAS number of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate is 70779-09-8.
What is the molecular formula of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate?
The molecular formula of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate is C28H46O6.
What is the molecular weight of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate?
The molecular weight of Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate is 478.33 g/mol.
Where can I buy Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate?
You can request a quote for Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-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 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.