![alpha-[4-Chlorophenyl]-2-nitrocinnamic acid structure](/static/products/1144/114417-06-0.webp)
alpha-[4-Chlorophenyl]-2-nitrocinnamic acid
TL;DR: alpha-[4-Chlorophenyl]-2-nitrocinnamic acid (CAS 114417-06-0) is a chemical compound with molecular formula C15H10ClNO4 and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid
Also Known As: .alpha.-[4-Chlorophenyl]-2-nitrocinnamic acid, 2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid, (E)-2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid, (2E)-2-(4-Chlorophenyl)-3-(2-nitrophenyl)-2-propenoic acid #
| Molecular Formula | C15H10ClNO4 |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.8734 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.02985 |
| Heavy Atoms | 21 |
| Complexity | 722.70844 |
Chemical Identifiers
| CAS Number | 114417-06-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C2=CC=C(C=C2)Cl)/C(=O)O)[N+](=O)[O-] |
Product Overview
alpha-[4-Chlorophenyl]-2-nitrocinnamic acid (CAS 114417-06-0), with molecular formula C15H10ClNO4 and molecular weight 303.03 g/mol. IUPAC: (E)-2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid
Property Insights of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid
The XLogP value of 3.8734 indicates that alpha-[4-Chlorophenyl]-2-nitrocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-[4-Chlorophenyl]-2-nitrocinnamic acid. Following Lipinski's Rule of Five, alpha-[4-Chlorophenyl]-2-nitrocinnamic acid has 1 hydrogen bond donor(s) and 3 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 alpha-[4-Chlorophenyl]-2-nitrocinnamic acid?
The CAS number of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid is 114417-06-0.
What is the molecular formula of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid?
The molecular formula of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid is C15H10ClNO4.
What is the molecular weight of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid?
The molecular weight of alpha-[4-Chlorophenyl]-2-nitrocinnamic acid is 303.03 g/mol.
Where can I buy alpha-[4-Chlorophenyl]-2-nitrocinnamic acid?
You can request a quote for alpha-[4-Chlorophenyl]-2-nitrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[4-Chlorophenyl]-2-nitrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-[4-Chlorophenyl]-2-nitrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.