Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate
TL;DR: Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate (CAS 5422-37-7) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate
Also Known As: dimethyl 2,5-dimethylterephthalate, dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate, 2,5-dimethyl-terephthalic acid dimethyl ester, dimethyl 2,5-dimethylbenzene-1,4-dioate, 2,5-Dimethyl-terephthalsaeure-dimethylester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 5422-37-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)OC)C)C(=O)OC |
| InChIKey | XYQCGGPYZALUAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate (CAS 5422-37-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate
Property Insights of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate 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 Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate is 5422-37-7.
What is the molecular formula of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate is C12H14O4.
What is the molecular weight of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate is 222.09 g/mol.
Where can I buy Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.