Methyl 2,4-dichloro-5-fluorobenzoate
TL;DR: Methyl 2,4-dichloro-5-fluorobenzoate (CAS 128800-56-6) is a chemical compound with molecular formula C8H5Cl2FO2 and molecular weight 221.96506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,4-dichloro-5-fluorobenzoate
Also Known As: Methyl 2,4-dichloro-5-fluorobenzoate, methyl2,4-dichloro-5-fluorobenzoate, methyl 2,4-dichloro-5-fluoro-benzoate, Benzoic acid, 2,4-dichloro-5-fluoro-, methyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5Cl2FO2 |
| Molecular Weight | 221.96506 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.96506 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1Cl)Cl)F |
| InChIKey | DOGWJTCXQCCQBY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2,4-dichloro-5-fluorobenzoate
Property Insights of Methyl 2,4-dichloro-5-fluorobenzoate
The XLogP value of 3.1 indicates that Methyl 2,4-dichloro-5-fluorobenzoate 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-dichloro-5-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4-dichloro-5-fluorobenzoate has 0 hydrogen bond donor(s) and 3 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-dichloro-5-fluorobenzoate?
The CAS number of Methyl 2,4-dichloro-5-fluorobenzoate is 128800-56-6.
What is the molecular formula of Methyl 2,4-dichloro-5-fluorobenzoate?
The molecular formula of Methyl 2,4-dichloro-5-fluorobenzoate is C8H5Cl2FO2.
What is the molecular weight of Methyl 2,4-dichloro-5-fluorobenzoate?
The molecular weight of Methyl 2,4-dichloro-5-fluorobenzoate is 221.96506 g/mol.
Where can I buy Methyl 2,4-dichloro-5-fluorobenzoate?
You can request a quote for Methyl 2,4-dichloro-5-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2,4-dichloro-5-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2,4-dichloro-5-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.