3-(4-Nitrophenyl)-2-butenoic Acid
TL;DR: 3-(4-Nitrophenyl)-2-butenoic Acid (CAS 80854-59-7) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)but-2-enoic acid
Also Known As: 3-(4-nitrophenyl)but-2-enoic acid, 3-(4-Nitrophenyl)-2-butenoic Acid, (Z)-3-(4-nitrophenyl)but-2-enoic acid
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 80854-59-7 |
|---|---|
| SMILES | CC(=CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | APEDXSVBRQSCED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Nitrophenyl)-2-butenoic Acid (CAS 80854-59-7), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 3-(4-nitrophenyl)but-2-enoic acid.
Chemical Property Profile of 3-(4-Nitrophenyl)-2-butenoic Acid
Property Insights of 3-(4-Nitrophenyl)-2-butenoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)-2-butenoic Acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-2-butenoic Acid. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-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 3-(4-Nitrophenyl)-2-butenoic Acid?
The CAS number of 3-(4-Nitrophenyl)-2-butenoic Acid is 80854-59-7.
What is the molecular formula of 3-(4-Nitrophenyl)-2-butenoic Acid?
The molecular formula of 3-(4-Nitrophenyl)-2-butenoic Acid is C10H9NO4.
What is the molecular weight of 3-(4-Nitrophenyl)-2-butenoic Acid?
The molecular weight of 3-(4-Nitrophenyl)-2-butenoic Acid is 207.05 g/mol.
Where can I buy 3-(4-Nitrophenyl)-2-butenoic Acid?
You can request a quote for 3-(4-Nitrophenyl)-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 3-(4-Nitrophenyl)-2-butenoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-2-butenoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.