2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate
TL;DR: 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate (CAS 76644-62-7) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethyl-4-methoxy-4-oxobutyl) 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: 2-ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 2-ethyl-4-methoxy-4-oxobutyl methyl ester, 2-(methoxycarbonylmethyl)butyl Methyl Benzene-1,2-dicarboxylate, 2-O-(2-ethyl-4-methoxy-4-oxobutyl) 1-O-methyl benzene-1,2-dicarboxylate
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 76644-62-7 |
|---|---|
| SMILES | CCC(CC(=O)OC)COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | DJIPHJTYDANLEQ-UHFFFAOYSA-N |
Product Overview
2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate (CAS 76644-62-7), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: 2-O-(2-ethyl-4-methoxy-4-oxobutyl) 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate
Property Insights of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate. Following Lipinski's Rule of Five, 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate 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-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate?
The CAS number of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate is 76644-62-7.
What is the molecular formula of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate?
The molecular formula of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate is C16H20O6.
What is the molecular weight of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate?
The molecular weight of 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate is 308.13 g/mol.
Where can I buy 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate?
You can request a quote for 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.