(E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid
TL;DR: (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid (CAS 331259-33-7) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
Also Known As: (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid, 4-[[2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic Acid, 4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid, 4-({(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoic acid
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.3467 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 940.24255 |
Chemical Identifiers
| CAS Number | 331259-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCCC(=O)O |
Product Overview
(E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid (CAS 331259-33-7), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid
Property Insights of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid
The XLogP value of 2.3467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid. Following Lipinski's Rule of Five, (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid has 3 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 (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid?
The CAS number of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid is 331259-33-7.
What is the molecular formula of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid?
The molecular formula of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid is C20H19N3O6.
What is the molecular weight of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid?
The molecular weight of (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid is 397.13 g/mol.
Where can I buy (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid?
You can request a quote for (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-benzamido-3-(3-nitrophenyl)acrylamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.