3-(4-Aminophenyl)prop-2-enoic acid
TL;DR: 3-(4-Aminophenyl)prop-2-enoic acid (CAS 2393-18-2) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)prop-2-enoic acid
Also Known As: 4-Aminocinnamic acid, p-Aminocinnamic acid, p-amino-cinnamic acid, 4-amino-cinnamic acid, zlchem 1101
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 2393-18-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)N |
| InChIKey | JOLPMPPNHIACPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Aminophenyl)prop-2-enoic acid (CAS 2393-18-2), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 3-(4-aminophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Aminophenyl)prop-2-enoic acid
Property Insights of 3-(4-Aminophenyl)prop-2-enoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Aminophenyl)prop-2-enoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Aminophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-Aminophenyl)prop-2-enoic acid has 2 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 3-(4-Aminophenyl)prop-2-enoic acid?
The CAS number of 3-(4-Aminophenyl)prop-2-enoic acid is 2393-18-2.
What is the molecular formula of 3-(4-Aminophenyl)prop-2-enoic acid?
The molecular formula of 3-(4-Aminophenyl)prop-2-enoic acid is C9H9NO2.
What is the molecular weight of 3-(4-Aminophenyl)prop-2-enoic acid?
The molecular weight of 3-(4-Aminophenyl)prop-2-enoic acid is 163.06 g/mol.
Where can I buy 3-(4-Aminophenyl)prop-2-enoic acid?
You can request a quote for 3-(4-Aminophenyl)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-Aminophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Aminophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.