![[2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate structure](/static/products/7219/721901-71-9.webp)
[2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate
TL;DR: [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate (CAS 721901-71-9) is a chemical compound with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-cyanoanilino)-2-oxoethyl] 4-formylbenzoate
Also Known As: [2-(4-cyanoanilino)-2-oxoethyl] 4-formylbenzoate|[(4-CYANOPHENYL)CARBAMOYL]METHYL 4-FORMYLBENZOATE|EN300-1186830
| Molecular Formula | C17H12N2O4 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.16628 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0797 |
| Heavy Atoms | 23 |
| Complexity | 758.67554 |
Chemical Identifiers
| CAS Number | 721901-71-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N |
Product Overview
[2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate (CAS 721901-71-9), with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol. IUPAC: [2-(4-cyanoanilino)-2-oxoethyl] 4-formylbenzoate.
Chemical Property Profile of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate
Property Insights of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate
The XLogP value of 2.16628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate. Following Lipinski's Rule of Five, [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate has 1 hydrogen bond donor(s) and 5 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-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate?
The CAS number of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate is 721901-71-9.
What is the molecular formula of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate?
The molecular formula of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate is C17H12N2O4.
What is the molecular weight of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate?
The molecular weight of [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate is 308.08 g/mol.
Where can I buy [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate?
You can request a quote for [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Cyanoanilino)-2-oxoethyl] 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.