![2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid structure](/static/products/6261/6261-66-1.webp)
2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid
TL;DR: 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid (CAS 6261-66-1) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic acid
Also Known As: 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid, 2-[3-(4-nitrophenyl)acryloyl]benzenecarboxylic acid, 2-[3-(4-NITROPHENYL)ACRYLOYL]-BENZENECARBOXYLIC ACID, Benzoic acid, 2-[3-(4-nitrophenyl)-1-oxo-2-propenyl]-
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.1891 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 762.36053 |
Chemical Identifiers
| CAS Number | 6261-66-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid (CAS 6261-66-1), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic acid.
Chemical Property Profile of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid
Property Insights of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid
The XLogP value of 3.1891 indicates that 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid. Following Lipinski's Rule of Five, 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic 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-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid?
The CAS number of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid is 6261-66-1.
What is the molecular formula of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid?
The molecular formula of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid is C16H11NO5.
What is the molecular weight of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid?
The molecular weight of 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid is 297.06 g/mol.
Where can I buy 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid?
You can request a quote for 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic 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-(4-nitrophenyl)prop-2-enoyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-nitrophenyl)prop-2-enoyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.