Methyl 2,5-dichlorobenzoate
TL;DR: Methyl 2,5-dichlorobenzoate (CAS 2905-69-3) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dichlorobenzoate
Also Known As: METHYL 2,5-DICHLOROBENZOATE, Dichloro-ester, Methyl dichlorobenzoate, Benzoic acid, 2,5-dichloro-, methyl ester, 2,5-dichlorobenzoic acid methyl ester
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 2905-69-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)Cl |
| InChIKey | SPJQBGGHUDNAIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,5-dichlorobenzoate (CAS 2905-69-3), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: methyl 2,5-dichlorobenzoate.
Chemical Property Profile of Methyl 2,5-dichlorobenzoate
Property Insights of Methyl 2,5-dichlorobenzoate
The XLogP value of 4.1 indicates that Methyl 2,5-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,5-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5-dichlorobenzoate 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 Methyl 2,5-dichlorobenzoate?
The CAS number of Methyl 2,5-dichlorobenzoate is 2905-69-3.
What is the molecular formula of Methyl 2,5-dichlorobenzoate?
The molecular formula of Methyl 2,5-dichlorobenzoate is C8H6Cl2O2.
What is the molecular weight of Methyl 2,5-dichlorobenzoate?
The molecular weight of Methyl 2,5-dichlorobenzoate is 203.97 g/mol.
Where can I buy Methyl 2,5-dichlorobenzoate?
You can request a quote for Methyl 2,5-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.