![3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid structure](/static/products/3384/338403-64-8.webp)
3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
TL;DR: 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid (CAS 338403-64-8) is a chemical compound with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
Also Known As: 3-[4-(3-chlorophenoxy)-3-nitrophenyl]acrylic acid, 3-[4-(3-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid, 3-[4-(3-chlorophenoxy)-3-nitro-phenyl]prop-2-enoic Acid
| Molecular Formula | C15H10ClNO5 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.02475 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 338403-64-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-] |
| InChIKey | NWHKGGPZULUXDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid (CAS 338403-64-8), with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol. IUPAC: 3-[4-(3-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
Property Insights of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
The XLogP value of 3.9 indicates that 3-[4-(3-Chlorophenoxy)-3-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 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[4-(3-Chlorophenoxy)-3-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 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid?
The CAS number of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid is 338403-64-8.
What is the molecular formula of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid?
The molecular formula of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid is C15H10ClNO5.
What is the molecular weight of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid?
The molecular weight of 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid is 319.02 g/mol.
Where can I buy 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid?
You can request a quote for 3-[4-(3-Chlorophenoxy)-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-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.