3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile
TL;DR: 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile (CAS 1025573-32-3) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-(4-hydroxy-2-methylanilino)prop-2-enenitrile
Also Known As: 3-((4-HYDROXY-2-METHYLPHENYL)AMINO)-2-(PHENYLCARBONYL)PROP-2-ENENITRILE, 2-benzoyl-3-(4-hydroxy-2-methyl-anilino)prop-2-enenitrile, 2-benzoyl-3-(4-hydroxy-2-methylanilino)prop-2-enenitrile, 2-benzoyl-3-[(4-hydroxy-2-methyl-phenyl)amino]prop-2-enenitrile
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.4029 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 728.2005 |
Chemical Identifiers
| CAS Number | 1025573-32-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)NC=C(C#N)C(=O)C2=CC=CC=C2 |
Product Overview
3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile (CAS 1025573-32-3), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 2-benzoyl-3-(4-hydroxy-2-methylanilino)prop-2-enenitrile.
Chemical Property Profile of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile
Property Insights of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile
The XLogP value of 3.4029 indicates that 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile has 2 hydrogen bond donor(s) and 4 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-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile?
The CAS number of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile is 1025573-32-3.
What is the molecular formula of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular formula of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile is C17H14N2O2.
What is the molecular weight of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular weight of 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile is 278.11 g/mol.
Where can I buy 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile?
You can request a quote for 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Hydroxy-2-methylphenyl)amino)-2-(phenylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.