2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
TL;DR: 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate (CAS 6572-69-6) is a chemical compound with molecular formula C18H13N3O5 and molecular weight 351.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-cyanoanilino)-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate
Also Known As: 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate, [2-(2-cyanoanilino)-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate
| Molecular Formula | C18H13N3O5 |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 2.66158 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0855 |
| Heavy Atoms | 26 |
| Complexity | 897.7877 |
Chemical Identifiers
| CAS Number | 6572-69-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate (CAS 6572-69-6), with molecular formula C18H13N3O5 and molecular weight 351.09 g/mol. IUPAC: [2-(2-cyanoanilino)-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
Property Insights of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
The XLogP value of 2.66158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate has 1 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-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate?
The CAS number of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate is 6572-69-6.
What is the molecular formula of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate?
The molecular formula of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate is C18H13N3O5.
What is the molecular weight of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate?
The molecular weight of 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate is 351.09 g/mol.
Where can I buy 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate?
You can request a quote for 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyanoanilino)-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.