Dimethyl 2,5-dichloroterephthalate
TL;DR: Dimethyl 2,5-dichloroterephthalate (CAS 3293-89-8) is a chemical compound with molecular formula C10H8Cl2O4 and molecular weight 261.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dichlorobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2,5-dichloroterephthalate, dimethyl 2,5-dichlorobenzene-1,4-dicarboxylate, IFLab1_000211, Dimethyl2,5-dichloroterephthalate, dimethyl 2,5-dichloro-terephthalate
| Molecular Formula | C10H8Cl2O4 |
|---|---|
| Molecular Weight | 261.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.97995 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 3293-89-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1Cl)C(=O)OC)Cl |
| InChIKey | RDDWGNUSHLFXED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,5-dichloroterephthalate (CAS 3293-89-8), with molecular formula C10H8Cl2O4 and molecular weight 261.98 g/mol. IUPAC: dimethyl 2,5-dichlorobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2,5-dichloroterephthalate
Property Insights of Dimethyl 2,5-dichloroterephthalate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dichloroterephthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,5-dichloroterephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,5-dichloroterephthalate 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-dichloroterephthalate?
The CAS number of Dimethyl 2,5-dichloroterephthalate is 3293-89-8.
What is the molecular formula of Dimethyl 2,5-dichloroterephthalate?
The molecular formula of Dimethyl 2,5-dichloroterephthalate is C10H8Cl2O4.
What is the molecular weight of Dimethyl 2,5-dichloroterephthalate?
The molecular weight of Dimethyl 2,5-dichloroterephthalate is 261.98 g/mol.
Where can I buy Dimethyl 2,5-dichloroterephthalate?
You can request a quote for Dimethyl 2,5-dichloroterephthalate 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-dichloroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dichloroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.