四氯对苯二甲酸二甲酯
TL;DR: 四氯对苯二甲酸二甲酯 (CAS 1861-32-1) is a chemical compound with molecular formula C10H6Cl4O4 and molecular weight 329.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氯对苯二甲酸二甲酯
dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
Also Known As: Chlorthal-dimethyl, dacthal, Dacthalor, Tetral, Fatal
| Molecular Formula | C10H6Cl4O4 |
|---|---|
| Molecular Weight | 329.90 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.89908 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| Melting Point | 155-156 °C |
| Solubility | LESS THAN 5% IN WATER; GREATER THAN 5% IN CYCLOHEXANONE, ACETONE, XYLENE |
| Vapor Pressure | 0.0000025 [mmHg] |
Chemical Identifiers
| CAS Number | 1861-32-1 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl |
| InChIKey | NPOJQCVWMSKXDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氯对苯二甲酸二甲酯 (CAS 1861-32-1), with molecular formula C10H6Cl4O4 and molecular weight 329.90 g/mol. IUPAC: dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate.
Chemical Property Profile of 四氯对苯二甲酸二甲酯
Property Insights of 四氯对苯二甲酸二甲酯
The XLogP value of 4.4 indicates that 四氯对苯二甲酸二甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 四氯对苯二甲酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氯对苯二甲酸二甲酯 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 四氯对苯二甲酸二甲酯?
The CAS number of 四氯对苯二甲酸二甲酯 is 1861-32-1.
What is the molecular formula of 四氯对苯二甲酸二甲酯?
The molecular formula of 四氯对苯二甲酸二甲酯 is C10H6Cl4O4.
What is the molecular weight of 四氯对苯二甲酸二甲酯?
The molecular weight of 四氯对苯二甲酸二甲酯 is 329.90 g/mol.
Where can I buy 四氯对苯二甲酸二甲酯?
You can request a quote for 四氯对苯二甲酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氯对苯二甲酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 四氯对苯二甲酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.