4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate
TL;DR: 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate (CAS 651710-68-8) is a chemical compound with molecular formula C15H12BrFO2 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,6-dimethylphenyl) 4-fluorobenzoate
Also Known As: 4-bromo-2,6-dimethylphenyl 4-fluorobenzoate, (4-bromo-2,6-dimethylphenyl) 4-fluorobenzoate, AN-329/42235118
| Molecular Formula | C15H12BrFO2 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 4.42424 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.00046 |
| Heavy Atoms | 19 |
| Complexity | 597.53784 |
Chemical Identifiers
| CAS Number | 651710-68-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)F)C)Br |
Product Overview
4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate (CAS 651710-68-8), with molecular formula C15H12BrFO2 and molecular weight 322.00 g/mol. IUPAC: (4-bromo-2,6-dimethylphenyl) 4-fluorobenzoate.
Chemical Property Profile of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate
Property Insights of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate
The XLogP value of 4.42424 indicates that 4-Bromo-2,6-dimethylphenyl 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-2,6-dimethylphenyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-dimethylphenyl 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-2,6-dimethylphenyl 4-fluorobenzoate?
The CAS number of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate is 651710-68-8.
What is the molecular formula of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate?
The molecular formula of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate is C15H12BrFO2.
What is the molecular weight of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate?
The molecular weight of 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate is 322.00 g/mol.
Where can I buy 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate?
You can request a quote for 4-Bromo-2,6-dimethylphenyl 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-2,6-dimethylphenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-dimethylphenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.