Methyl 3-bromo-4-fluorobenzoate
TL;DR: Methyl 3-bromo-4-fluorobenzoate (CAS 82702-31-6) is a chemical compound with molecular formula C8H6BrFO2 and molecular weight 231.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-4-fluorobenzoate
Also Known As: Methyl 3-bromo-4-fluorobenzoate, null, Methyl3-bromo-4-fluorobenzoate, 3-bromo-4-fluorobenzoic acid methyl ester, methyl 3-bromo-4-fluoro-benzoate
| Molecular Formula | C8H6BrFO2 |
|---|---|
| Molecular Weight | 231.95 g/mol |
| LogP | 2.3748 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.95352 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 82702-31-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)F)Br |
Product Overview
Methyl 3-bromo-4-fluorobenzoate (CAS 82702-31-6), with molecular formula C8H6BrFO2 and molecular weight 231.95 g/mol. IUPAC: methyl 3-bromo-4-fluorobenzoate.
Chemical Property Profile of Methyl 3-bromo-4-fluorobenzoate
Property Insights of Methyl 3-bromo-4-fluorobenzoate
The XLogP value of 2.3748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-4-fluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-bromo-4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-4-fluorobenzoate 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 3-bromo-4-fluorobenzoate?
The CAS number of Methyl 3-bromo-4-fluorobenzoate is 82702-31-6.
What is the molecular formula of Methyl 3-bromo-4-fluorobenzoate?
The molecular formula of Methyl 3-bromo-4-fluorobenzoate is C8H6BrFO2.
What is the molecular weight of Methyl 3-bromo-4-fluorobenzoate?
The molecular weight of Methyl 3-bromo-4-fluorobenzoate is 231.95 g/mol.
Where can I buy Methyl 3-bromo-4-fluorobenzoate?
You can request a quote for Methyl 3-bromo-4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.