2-Bromo-4-chlorophenyl 2-methylbenzoate
TL;DR: 2-Bromo-4-chlorophenyl 2-methylbenzoate (CAS 511518-16-4) is a chemical compound with molecular formula C14H10BrClO2 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-chlorophenyl) 2-methylbenzoate
Also Known As: 2-bromo-4-chlorophenyl 2-methylbenzoate, (2-bromo-4-chlorophenyl) 2-methylbenzoate, AN-329/41692922
| Molecular Formula | C14H10BrClO2 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 4.63012 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.95526 |
| Heavy Atoms | 18 |
| Complexity | 596.0979 |
Chemical Identifiers
| CAS Number | 511518-16-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Cl)Br |
Product Overview
2-Bromo-4-chlorophenyl 2-methylbenzoate (CAS 511518-16-4), with molecular formula C14H10BrClO2 and molecular weight 323.96 g/mol. IUPAC: (2-bromo-4-chlorophenyl) 2-methylbenzoate.
Chemical Property Profile of 2-Bromo-4-chlorophenyl 2-methylbenzoate
Property Insights of 2-Bromo-4-chlorophenyl 2-methylbenzoate
The XLogP value of 4.63012 indicates that 2-Bromo-4-chlorophenyl 2-methylbenzoate 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 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-chlorophenyl 2-methylbenzoate 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 2-methylbenzoate?
The CAS number of 2-Bromo-4-chlorophenyl 2-methylbenzoate is 511518-16-4.
What is the molecular formula of 2-Bromo-4-chlorophenyl 2-methylbenzoate?
The molecular formula of 2-Bromo-4-chlorophenyl 2-methylbenzoate is C14H10BrClO2.
What is the molecular weight of 2-Bromo-4-chlorophenyl 2-methylbenzoate?
The molecular weight of 2-Bromo-4-chlorophenyl 2-methylbenzoate is 323.96 g/mol.
Where can I buy 2-Bromo-4-chlorophenyl 2-methylbenzoate?
You can request a quote for 2-Bromo-4-chlorophenyl 2-methylbenzoate 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 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-chlorophenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.