(2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
TL;DR: (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CAS 444683-94-7) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Also Known As: (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide, N-butyl-2-cyano-3-(4-hydroxyphenyl)acrylamide, (E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide, AS-871/42880002, N-Butyl-2-cyano-3-(4-hydroxyphenyl)-2-propenamide, AldrichCPR
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.21548 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 469.5625 |
Chemical Identifiers
| CAS Number | 444683-94-7 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C/C1=CC=C(C=C1)O)/C#N |
Product Overview
(2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CAS 444683-94-7), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: (E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Property Insights of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
The XLogP value of 2.21548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-butyl-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 (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The CAS number of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is 444683-94-7.
What is the molecular formula of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The molecular formula of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is C14H16N2O2.
What is the molecular weight of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The molecular weight of (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is 244.12 g/mol.
Where can I buy (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
You can request a quote for (2E)-N-butyl-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 (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-butyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.