1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester (CAS 23038-61-1) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-methylbenzene-1,3-dicarboxylate
Also Known As: Dimethyl 4-methylisophthalate, dimethyl 4-methylbenzene-1,3-dicarboxylate, Dimethyl4-methylisophthalate, 4-Methyl-dimethyl isophthalate, 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)C(=O)OC |
| InChIKey | MTDRWWFCMSDTBL-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-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
What is the CAS number of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester is 23038-61-1.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester is C11H12O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester is 208.07356 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.