2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester
TL;DR: 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester (CAS 74607-11-7) is a chemical compound with molecular formula C12H20O6 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,1-O-diethyl 3-O-methyl butane-1,1,3-tricarboxylate
Also Known As: diethyl beta-carbomethoxypropylmalonate, 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester, 1,1-diethyl 3-methyl Butane-1,1,3-tricarboxylate, DIETHYL 2-(2-(CARBOMETHOXY)-PROPYL)-MALONATE, 1-O,1-O-diethyl 3-O-methyl butane-1,1,3-tricarboxylate
| Molecular Formula | C12H20O6 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 0.928 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.12598 |
| Heavy Atoms | 18 |
| Complexity | 280.94275 |
Chemical Identifiers
| CAS Number | 74607-11-7 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C(=O)OC)C(=O)OCC |
Product Overview
2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester (CAS 74607-11-7), with molecular formula C12H20O6 and molecular weight 260.13 g/mol. IUPAC: 1-O,1-O-diethyl 3-O-methyl butane-1,1,3-tricarboxylate.
Chemical Property Profile of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester
Property Insights of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester
The XLogP value of 0.928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester. Following Lipinski's Rule of Five, 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-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 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester?
The CAS number of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester is 74607-11-7.
What is the molecular formula of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester?
The molecular formula of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester is C12H20O6.
What is the molecular weight of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester?
The molecular weight of 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester is 260.13 g/mol.
Where can I buy 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester?
You can request a quote for 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxycarbonyl-4-Methyl-Pentanedioic Acid 1-Ethyl Ester 5-Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.