2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid
TL;DR: 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 24140-12-3) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid
Also Known As: N-(2-Cyano-ethyl)-DL-tyrosin, 2-(2-cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 24140-12-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)NCCC#N)O |
| InChIKey | JGVOTJVGVQNJIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 24140-12-3), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 2-(2-cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid
Property Insights of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of -1.6 indicates that 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid has 3 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 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid is 24140-12-3.
What is the molecular formula of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid is C12H14N2O3.
What is the molecular weight of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid is 234.10 g/mol.
Where can I buy 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid?
You can request a quote for 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyanoethylamino)-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.