(2E)-3-(4-Cyanophenyl)-2-propenoic acid
TL;DR: (2E)-3-(4-Cyanophenyl)-2-propenoic acid (CAS 19064-57-4) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-cyanophenyl)prop-2-enoic acid
Also Known As: 4-Cyanocinnamic acid, (E)-3-(4-Cyanophenyl)acrylic acid, 3-(4-cyanophenyl)acrylic acid, trans-4-Cyanocinnamic acid, p-Cyanocinnamic acid
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 19064-57-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O)C#N |
| InChIKey | USVZQKYCNGNRBV-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-3-(4-Cyanophenyl)-2-propenoic acid (CAS 19064-57-4), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: (E)-3-(4-cyanophenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(4-Cyanophenyl)-2-propenoic acid
Property Insights of (2E)-3-(4-Cyanophenyl)-2-propenoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-Cyanophenyl)-2-propenoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-Cyanophenyl)-2-propenoic acid. Following Lipinski's Rule of Five, (2E)-3-(4-Cyanophenyl)-2-propenoic 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 (2E)-3-(4-Cyanophenyl)-2-propenoic acid?
The CAS number of (2E)-3-(4-Cyanophenyl)-2-propenoic acid is 19064-57-4.
What is the molecular formula of (2E)-3-(4-Cyanophenyl)-2-propenoic acid?
The molecular formula of (2E)-3-(4-Cyanophenyl)-2-propenoic acid is C10H7NO2.
What is the molecular weight of (2E)-3-(4-Cyanophenyl)-2-propenoic acid?
The molecular weight of (2E)-3-(4-Cyanophenyl)-2-propenoic acid is 173.05 g/mol.
Where can I buy (2E)-3-(4-Cyanophenyl)-2-propenoic acid?
You can request a quote for (2E)-3-(4-Cyanophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-Cyanophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-Cyanophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.