Methyl 2-bromo-6-chlorobenzoate
TL;DR: Methyl 2-bromo-6-chlorobenzoate (CAS 685-89-2) is a chemical compound with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-6-chlorobenzoate
Also Known As: methyl 2-bromo-6-chlorobenzoate, Methyl-2-bromo-6-chlorobenzoate, methyl2-bromo-6-chlorobenzoate, methyl 2-bromo-6-chloro-benzoate, Benzoic acid, 2-bromo-6-chloro-, methyl ester
| Molecular Formula | C8H6BrClO2 |
|---|---|
| Molecular Weight | 247.92 g/mol |
| LogP | 2.8891 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.92397 |
| Heavy Atoms | 12 |
| Complexity | 291.6762 |
Chemical Identifiers
| CAS Number | 685-89-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=C1Br)Cl |
Product Overview
Methyl 2-bromo-6-chlorobenzoate (CAS 685-89-2), with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol. IUPAC: methyl 2-bromo-6-chlorobenzoate.
Chemical Property Profile of Methyl 2-bromo-6-chlorobenzoate
Property Insights of Methyl 2-bromo-6-chlorobenzoate
The XLogP value of 2.8891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-6-chlorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-6-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-6-chlorobenzoate 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-bromo-6-chlorobenzoate?
The CAS number of Methyl 2-bromo-6-chlorobenzoate is 685-89-2.
What is the molecular formula of Methyl 2-bromo-6-chlorobenzoate?
The molecular formula of Methyl 2-bromo-6-chlorobenzoate is C8H6BrClO2.
What is the molecular weight of Methyl 2-bromo-6-chlorobenzoate?
The molecular weight of Methyl 2-bromo-6-chlorobenzoate is 247.92 g/mol.
Where can I buy Methyl 2-bromo-6-chlorobenzoate?
You can request a quote for Methyl 2-bromo-6-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-6-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-6-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.