![3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid structure](/static/products/109/109205-88-1.png)
3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid
TL;DR: 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid (CAS 109205-88-1) is a chemical compound with molecular formula C12H9NO6 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid
Also Known As: 3-[4-(2-carboxyethenyl)-3-nitro-phenyl]prop-2-enoic Acid, 2-Propenoic acid, 3,3'-(2-nitro-1,4-phenylene)bis- (en), 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoic acid
| Molecular Formula | C12H9NO6 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.7904 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.043 |
| Heavy Atoms | 19 |
| Complexity | 587.88245 |
Chemical Identifiers
| CAS Number | 109205-88-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])C=CC(=O)O |
Product Overview
3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid (CAS 109205-88-1), with molecular formula C12H9NO6 and molecular weight 263.04 g/mol. IUPAC: 3-[4-(2-carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid
Property Insights of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid
The XLogP value of 1.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]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 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid?
The CAS number of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid is 109205-88-1.
What is the molecular formula of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid?
The molecular formula of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid is C12H9NO6.
What is the molecular weight of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid?
The molecular weight of 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid is 263.04 g/mol.
Where can I buy 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid?
You can request a quote for 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]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 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-Carboxyethenyl)-3-nitrophenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.