Methyl 2,4-dichlorobenzoate
TL;DR: Methyl 2,4-dichlorobenzoate (CAS 35112-28-8) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,4-dichlorobenzoate
Also Known As: Methyl 2,4-dichlorobenzoate, Methyl2,4-Dichlorobenzoate, 2,4-Dichlorobenzoic Acid Methyl Ester, Benzoic acid, 2,4-dichloro-, methyl ester, Methyl 2,4-dichlorobenzoate #
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 203.97449 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)Cl |
| InChIKey | VCRWILYAWSRHBN-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2,4-dichlorobenzoate
Property Insights of Methyl 2,4-dichlorobenzoate
The XLogP value of 3.0 indicates that Methyl 2,4-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 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4-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
What is the CAS number of Methyl 2,4-dichlorobenzoate?
The CAS number of Methyl 2,4-dichlorobenzoate is 35112-28-8.
What is the molecular formula of Methyl 2,4-dichlorobenzoate?
The molecular formula of Methyl 2,4-dichlorobenzoate is C8H6Cl2O2.
What is the molecular weight of Methyl 2,4-dichlorobenzoate?
The molecular weight of Methyl 2,4-dichlorobenzoate is 203.97449 g/mol.
Where can I buy Methyl 2,4-dichlorobenzoate?
You can request a quote for Methyl 2,4-dichlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2,4-dichlorobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.