2-Chlorophenyl 3-bromo-4-methylbenzoate
TL;DR: 2-Chlorophenyl 3-bromo-4-methylbenzoate (CAS 496033-93-3) 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-chlorophenyl) 3-bromo-4-methylbenzoate
Also Known As: 2-chlorophenyl 3-bromo-4-methylbenzoate, (2-chlorophenyl) 3-bromo-4-methylbenzoate, AN-329/41306948
| Molecular Formula | C14H10BrClO2 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.95526 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 496033-93-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2Cl)Br |
| InChIKey | ZSSUMJYDIJJBKC-UHFFFAOYSA-N |
Product Overview
2-Chlorophenyl 3-bromo-4-methylbenzoate (CAS 496033-93-3), with molecular formula C14H10BrClO2 and molecular weight 323.96 g/mol. IUPAC: (2-chlorophenyl) 3-bromo-4-methylbenzoate.
Chemical Property Profile of 2-Chlorophenyl 3-bromo-4-methylbenzoate
Property Insights of 2-Chlorophenyl 3-bromo-4-methylbenzoate
The XLogP value of 5.0 indicates that 2-Chlorophenyl 3-bromo-4-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-Chlorophenyl 3-bromo-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 3-bromo-4-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-Chlorophenyl 3-bromo-4-methylbenzoate?
The CAS number of 2-Chlorophenyl 3-bromo-4-methylbenzoate is 496033-93-3.
What is the molecular formula of 2-Chlorophenyl 3-bromo-4-methylbenzoate?
The molecular formula of 2-Chlorophenyl 3-bromo-4-methylbenzoate is C14H10BrClO2.
What is the molecular weight of 2-Chlorophenyl 3-bromo-4-methylbenzoate?
The molecular weight of 2-Chlorophenyl 3-bromo-4-methylbenzoate is 323.96 g/mol.
Where can I buy 2-Chlorophenyl 3-bromo-4-methylbenzoate?
You can request a quote for 2-Chlorophenyl 3-bromo-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 3-bromo-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 3-bromo-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.