((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate
TL;DR: ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate (CAS 65295-49-0) is a chemical compound with molecular formula C25H21BrClNO3 and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(4-bromophenoxy)phenyl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: Brofenvalerate, ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate, (3-(4-bromophenoxy)phenyl)(cyano)methyl 2-(4-chlorophenyl)-3-methylbutanoate, [[3-(4-bromophenoxy)phenyl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate, [[3-(4-bromophenoxy)phenyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate
| Molecular Formula | C25H21BrClNO3 |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.03934 |
| Heavy Atoms | 31 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 65295-49-0 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=C(C=C3)Br |
| InChIKey | MFJPBJVWUYEEPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate (CAS 65295-49-0), with molecular formula C25H21BrClNO3 and molecular weight 497.04 g/mol. IUPAC: [[3-(4-bromophenoxy)phenyl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate
Property Insights of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate
The XLogP value of 6.9 indicates that ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate?
The CAS number of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate is 65295-49-0.
What is the molecular formula of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular formula of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate is C25H21BrClNO3.
What is the molecular weight of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular weight of ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate is 497.04 g/mol.
Where can I buy ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate?
You can request a quote for ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for ((3-(4-Bromophenoxy)phenyl)cyanomethyl) 2-(4-chlorophenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.