2,4-二氯苯甲酸氯甲酯
TL;DR: 2,4-二氯苯甲酸氯甲酯 (CAS 70190-72-6) is a chemical compound with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氯苯甲酸氯甲酯
chloromethyl 2,4-dichlorobenzoate
Also Known As: chloromethyl 2,4-dichlorobenzoate, 2,4-Dichlorobenzoic acid chloromethyl ester, Chloromethyl-2,4-dichlorobenzoate, chloromethyl2,4-dichlorobenzoate, 2,4-Dichlorobenzoicacidchloromethylester
| Molecular Formula | C8H5Cl3O2 |
|---|---|
| Molecular Weight | 237.94 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.93552 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 70190-72-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)OCCl |
| InChIKey | DOIDCVLQRFSVNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯苯甲酸氯甲酯 (CAS 70190-72-6), with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol. IUPAC: chloromethyl 2,4-dichlorobenzoate.
Chemical Property Profile of 2,4-二氯苯甲酸氯甲酯
Property Insights of 2,4-二氯苯甲酸氯甲酯
The XLogP value of 4.1 indicates that 2,4-二氯苯甲酸氯甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-二氯苯甲酸氯甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二氯苯甲酸氯甲酯 has 0 hydrogen bond donor(s) and 2 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 2,4-二氯苯甲酸氯甲酯?
The CAS number of 2,4-二氯苯甲酸氯甲酯 is 70190-72-6.
What is the molecular formula of 2,4-二氯苯甲酸氯甲酯?
The molecular formula of 2,4-二氯苯甲酸氯甲酯 is C8H5Cl3O2.
What is the molecular weight of 2,4-二氯苯甲酸氯甲酯?
The molecular weight of 2,4-二氯苯甲酸氯甲酯 is 237.94 g/mol.
Where can I buy 2,4-二氯苯甲酸氯甲酯?
You can request a quote for 2,4-二氯苯甲酸氯甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯苯甲酸氯甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯苯甲酸氯甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.