2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester (CAS 93913-55-4) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3-(4-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 2-benzamido-3-(4-nitrophenyl)prop-2-enoate, 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester, 2-Propenoic acid,2-(benzoylamino)-3-(4-nitrophenyl)-,ethyl ester
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 2.9288 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 797.97595 |
Chemical Identifiers
| CAS Number | 93913-55-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2 |
Product Overview
2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester (CAS 93913-55-4), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: ethyl 2-benzamido-3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester
The XLogP value of 2.9288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester 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-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester is 93913-55-4.
What is the molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester is C18H16N2O5.
What is the molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester is 340.11 g/mol.
Where can I buy 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-(benzoylamino)-3-(4-nitrophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.