2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate (CAS 354796-32-0) is a chemical compound with molecular formula C23H13BrN2O4 and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate, [2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoate
| Molecular Formula | C23H13BrN2O4 |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 5.02446 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.00586 |
| Heavy Atoms | 30 |
| Complexity | 1173.8103 |
Chemical Identifiers
| CAS Number | 354796-32-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)OC3=CC(=C(C=C3)C#N)C#N |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate (CAS 354796-32-0), with molecular formula C23H13BrN2O4 and molecular weight 460.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
The XLogP value of 5.02446 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate is 354796-32-0.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate is C23H13BrN2O4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate is 460.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.