4,6-Dimethyl-isophthalic acid diethyl ester
TL;DR: 4,6-Dimethyl-isophthalic acid diethyl ester (CAS 140410-09-9) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 4,6-dimethylbenzene-1,3-dicarboxylate
Also Known As: Diethyl 4,6-dimethylbenzene-1,3-dicarboxylate, 4,6-DIMETHYL-ISOPHTHALIC ACID DIETHYL ESTER, 1,3-Benzenedicarboxylic acid, 4,6-dimethyl-, diethyl ester, 1,3-Benzenedicarboxylic acid,4,6-dimethyl-,diethyl ester, 683-501-2
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1C)C)C(=O)OCC |
| InChIKey | RINMHOMWNMGFSR-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Dimethyl-isophthalic acid diethyl ester
Property Insights of 4,6-Dimethyl-isophthalic acid diethyl ester
The XLogP value of 3.1 indicates that 4,6-Dimethyl-isophthalic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4,6-Dimethyl-isophthalic acid diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-isophthalic acid diethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6-Dimethyl-isophthalic acid diethyl ester?
The CAS number of 4,6-Dimethyl-isophthalic acid diethyl ester is 140410-09-9.
What is the molecular formula of 4,6-Dimethyl-isophthalic acid diethyl ester?
The molecular formula of 4,6-Dimethyl-isophthalic acid diethyl ester is C14H18O4.
What is the molecular weight of 4,6-Dimethyl-isophthalic acid diethyl ester?
The molecular weight of 4,6-Dimethyl-isophthalic acid diethyl ester is 250.12051 g/mol.
Where can I buy 4,6-Dimethyl-isophthalic acid diethyl ester?
You can request a quote for 4,6-Dimethyl-isophthalic acid diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Dimethyl-isophthalic acid diethyl ester?
Yes, CoreyChem provides custom synthesis services for 4,6-Dimethyl-isophthalic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.