4-Bromo-2-chlorophenyl 4-fluorobenzoate
TL;DR: 4-Bromo-2-chlorophenyl 4-fluorobenzoate (CAS 587841-26-7) is a chemical compound with molecular formula C13H7BrClFO2 and molecular weight 327.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 4-fluorobenzoate
Also Known As: 4-bromo-2-chlorophenyl 4-fluorobenzoate, (4-bromo-2-chlorophenyl) 4-fluorobenzoate, AN-329/41609777
| Molecular Formula | C13H7BrClFO2 |
|---|---|
| Molecular Weight | 327.93 g/mol |
| LogP | 4.4608 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.9302 |
| Heavy Atoms | 18 |
| Complexity | 584.04517 |
Chemical Identifiers
| CAS Number | 587841-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Br)Cl)F |
Product Overview
4-Bromo-2-chlorophenyl 4-fluorobenzoate (CAS 587841-26-7), with molecular formula C13H7BrClFO2 and molecular weight 327.93 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 4-fluorobenzoate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl 4-fluorobenzoate
Property Insights of 4-Bromo-2-chlorophenyl 4-fluorobenzoate
The XLogP value of 4.4608 indicates that 4-Bromo-2-chlorophenyl 4-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, 4-Bromo-2-chlorophenyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl 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 4-Bromo-2-chlorophenyl 4-fluorobenzoate?
The CAS number of 4-Bromo-2-chlorophenyl 4-fluorobenzoate is 587841-26-7.
What is the molecular formula of 4-Bromo-2-chlorophenyl 4-fluorobenzoate?
The molecular formula of 4-Bromo-2-chlorophenyl 4-fluorobenzoate is C13H7BrClFO2.
What is the molecular weight of 4-Bromo-2-chlorophenyl 4-fluorobenzoate?
The molecular weight of 4-Bromo-2-chlorophenyl 4-fluorobenzoate is 327.93 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl 4-fluorobenzoate?
You can request a quote for 4-Bromo-2-chlorophenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-chlorophenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.