![(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid structure](/static/products/875/875325-98-7.png)
(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid
TL;DR: (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid (CAS 875325-98-7) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoic acid
Also Known As: BAS 00363383, BIM-0024718.P001, (E)-2-benzamido-3-(3-nitrophenyl)acrylic acid, 2-(benzoylamino)-3-(3-nitrophenyl)acrylic acid, 2-Benzoylamino-3-(3-nitro-phenyl)-acrylic acid
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.4503 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 784.06744 |
Chemical Identifiers
| CAS Number | 875325-98-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O |
Product Overview
(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid (CAS 875325-98-7), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: (E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid
Property Insights of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid
The XLogP value of 2.4503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid has 2 hydrogen bond donor(s) and 4 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 (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid?
The CAS number of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid is 875325-98-7.
What is the molecular formula of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid?
The molecular formula of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid is C16H12N2O5.
What is the molecular weight of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid?
The molecular weight of (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid is 312.07 g/mol.
Where can I buy (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid?
You can request a quote for (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.