Methyl 2-chloro-6-fluorobenzoate
TL;DR: Methyl 2-chloro-6-fluorobenzoate (CAS 151360-57-5) is a chemical compound with molecular formula C8H6ClFO2 and molecular weight 188.00403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloro-6-fluorobenzoate
Also Known As: Methyl 2-chloro-6-fluorobenzoate, cyclo-L-Trp-L-Leu, Benzoic acid, 2-chloro-6-fluoro-, methyl ester, Methyl2-chloro-6-fluorobenzoate, 2-Chloro-6-fluorobenzoic acid methyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.00403 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00403 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | COC(=O)C1=C(C=CC=C1Cl)F |
| InChIKey | CGOPETUZNLPTSU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-chloro-6-fluorobenzoate
Property Insights of Methyl 2-chloro-6-fluorobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-6-fluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloro-6-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-6-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-chloro-6-fluorobenzoate?
The CAS number of Methyl 2-chloro-6-fluorobenzoate is 151360-57-5.
What is the molecular formula of Methyl 2-chloro-6-fluorobenzoate?
The molecular formula of Methyl 2-chloro-6-fluorobenzoate is C8H6ClFO2.
What is the molecular weight of Methyl 2-chloro-6-fluorobenzoate?
The molecular weight of Methyl 2-chloro-6-fluorobenzoate is 188.00403 g/mol.
Where can I buy Methyl 2-chloro-6-fluorobenzoate?
You can request a quote for Methyl 2-chloro-6-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-chloro-6-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.