2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
TL;DR: 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid (CAS 21970-44-5) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
Also Known As: 2-(3-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid, (Z)-2-(3-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 21970-44-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | YYRHLLBVFIMNOJ-UHFFFAOYSA-N |
Product Overview
2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid (CAS 21970-44-5), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 2-(3-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
Property Insights of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
The XLogP value of 3.3 indicates that 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid has 1 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 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid?
The CAS number of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid is 21970-44-5.
What is the molecular formula of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid?
The molecular formula of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid is C16H13NO5.
What is the molecular weight of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid?
The molecular weight of 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid is 299.08 g/mol.
Where can I buy 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid?
You can request a quote for 2-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.