2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate
TL;DR: 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate (CAS 355436-19-0) is a chemical compound with molecular formula C25H18N2O4 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(2,3-dicyanophenoxy)benzoate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate, [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(2,3-dicyanophenoxy)benzoate
| Molecular Formula | C25H18N2O4 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.8788 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.12665 |
| Heavy Atoms | 31 |
| Complexity | 1249.1073 |
Chemical Identifiers
| CAS Number | 355436-19-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC(=C3C#N)C#N)C |
Product Overview
2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate (CAS 355436-19-0), with molecular formula C25H18N2O4 and molecular weight 410.13 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(2,3-dicyanophenoxy)benzoate.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate
Property Insights of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate
The XLogP value of 4.8788 indicates that 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-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-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate has 0 hydrogen bond donor(s) and 6 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-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate?
The CAS number of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate is 355436-19-0.
What is the molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate?
The molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate is C25H18N2O4.
What is the molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate?
The molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate is 410.13 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate?
You can request a quote for 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-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-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)-2-oxoethyl 3-(2,3-dicyanophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.