Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester
TL;DR: Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester (CAS 124896-06-6) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl methyl methanetricarboxylate
Also Known As: diethyl methyl methanetricarboxylate, Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 124896-06-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OC)C(=O)OCC |
| InChIKey | WLGVZFCDKLDCIC-UHFFFAOYSA-N |
Product Overview
Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester (CAS 124896-06-6), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: diethyl methyl methanetricarboxylate.
Chemical Property Profile of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester
Property Insights of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester. Following Lipinski's Rule of Five, Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester 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 Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester?
The CAS number of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester is 124896-06-6.
What is the molecular formula of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester?
The molecular formula of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester is C9H14O6.
What is the molecular weight of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester?
The molecular weight of Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester is 218.08 g/mol.
Where can I buy Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester?
You can request a quote for Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanetricarboxylic acid, 1,1-diethyl 1-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.