2-Bromo-4-chlorophenyl benzoate
TL;DR: 2-Bromo-4-chlorophenyl benzoate (CAS 511518-14-2) is a chemical compound with molecular formula C13H8BrClO2 and molecular weight 309.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-chlorophenyl) benzoate
Also Known As: 2-bromo-4-chlorophenyl benzoate, (2-bromo-4-chlorophenyl) benzoate, AE-848/07205028
| Molecular Formula | C13H8BrClO2 |
|---|---|
| Molecular Weight | 309.94 g/mol |
| LogP | 4.3217 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9396 |
| Heavy Atoms | 17 |
| Complexity | 540.37067 |
Chemical Identifiers
| CAS Number | 511518-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)Br |
Product Overview
2-Bromo-4-chlorophenyl benzoate (CAS 511518-14-2), with molecular formula C13H8BrClO2 and molecular weight 309.94 g/mol. IUPAC: (2-bromo-4-chlorophenyl) benzoate.
Chemical Property Profile of 2-Bromo-4-chlorophenyl benzoate
Property Insights of 2-Bromo-4-chlorophenyl benzoate
The XLogP value of 4.3217 indicates that 2-Bromo-4-chlorophenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromo-4-chlorophenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-chlorophenyl benzoate 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 2-Bromo-4-chlorophenyl benzoate?
The CAS number of 2-Bromo-4-chlorophenyl benzoate is 511518-14-2.
What is the molecular formula of 2-Bromo-4-chlorophenyl benzoate?
The molecular formula of 2-Bromo-4-chlorophenyl benzoate is C13H8BrClO2.
What is the molecular weight of 2-Bromo-4-chlorophenyl benzoate?
The molecular weight of 2-Bromo-4-chlorophenyl benzoate is 309.94 g/mol.
Where can I buy 2-Bromo-4-chlorophenyl benzoate?
You can request a quote for 2-Bromo-4-chlorophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-chlorophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-chlorophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.