1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester
TL;DR: 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester (CAS 14186-60-8) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methylbenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-methylterephthalate, Dimethyl 3-methylterephthalate, dimethyl 2-methylbenzene-1,4-dicarboxylate, Dimethyl2-methylterephthalate, dimethyl-2-methylterephthalate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 14186-60-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | DXIRJLBDSXBZCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester (CAS 14186-60-8), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: dimethyl 2-methylbenzene-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester
Property Insights of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl 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
Frequently Asked Questions
What is the CAS number of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester?
The CAS number of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester is 14186-60-8.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester is C11H12O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester is 208.07 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.