n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
TL;DR: n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CAS 4695-90-3) 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.
N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Also Known As: n-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide, (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)-2-propenamide, 5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, N-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enimidic acid
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 4695-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)O)C#N |
| InChIKey | RCKZSMPYPDOOCC-UHFFFAOYSA-N |
Product Overview
n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CAS 4695-90-3), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Property Insights of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide 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 n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The CAS number of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is 4695-90-3.
What is the molecular formula of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The molecular formula of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is C17H14N2O2.
What is the molecular weight of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The molecular weight of n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is 278.11 g/mol.
Where can I buy n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
You can request a quote for n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for n-Benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.