2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
TL;DR: 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid (CAS 21970-45-6) is a chemical compound with molecular formula C19H13NO4 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
Also Known As: 2-naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
| Molecular Formula | C19H13NO4 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.08447 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 21970-45-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O |
| InChIKey | YGYDRXWEJXQBOH-UHFFFAOYSA-N |
Product Overview
2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid (CAS 21970-45-6), with molecular formula C19H13NO4 and molecular weight 319.08 g/mol. IUPAC: 2-naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
Property Insights of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
The XLogP value of 4.6 indicates that 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic 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 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid?
The CAS number of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid is 21970-45-6.
What is the molecular formula of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid?
The molecular formula of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid is C19H13NO4.
What is the molecular weight of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid?
The molecular weight of 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid is 319.08 g/mol.
Where can I buy 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid?
You can request a quote for 2-Naphthalen-1-yl-3-(4-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 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.