(2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
TL;DR: (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid (CAS 80937-24-2) is a chemical compound with molecular formula C10H7NO5 and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
Also Known As: (E)-4-(2-nitrophenyl)-4-oxobut-2-enoic acid, (E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid, b-(o-nitrobenzoyl)acrylic acid, (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid, 2-Butenoic acid, 4-(2-nitrophenyl)-4-oxo-, (E)-
| Molecular Formula | C10H7NO5 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 1.4183 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.03242 |
| Heavy Atoms | 16 |
| Complexity | 477.85266 |
Chemical Identifiers
| CAS Number | 80937-24-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)/C=C/C(=O)O)[N+](=O)[O-] |
Product Overview
(2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid (CAS 80937-24-2), with molecular formula C10H7NO5 and molecular weight 221.03 g/mol. IUPAC: (E)-4-(2-nitrophenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
Property Insights of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
The XLogP value of 1.4183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid has 1 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)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid?
The CAS number of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid is 80937-24-2.
What is the molecular formula of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid?
The molecular formula of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid is C10H7NO5.
What is the molecular weight of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid?
The molecular weight of (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid is 221.03 g/mol.
Where can I buy (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid?
You can request a quote for (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.