N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
TL;DR: N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide (CAS 444332-50-7) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamide
Also Known As: AS-871/42880041, N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide, (E)-N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamide
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.61418 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 559.1308 |
Chemical Identifiers
| CAS Number | 444332-50-7 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C/C1=CC(=C(C=C1)O)OCC)/C#N |
Product Overview
N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide (CAS 444332-50-7), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: (E)-N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
Property Insights of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
The XLogP value of 2.61418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide. Following Lipinski's Rule of Five, N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide 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 N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide?
The CAS number of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide is 444332-50-7.
What is the molecular formula of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide?
The molecular formula of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide is C16H20N2O3.
What is the molecular weight of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide?
The molecular weight of N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide is 288.15 g/mol.
Where can I buy N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide?
You can request a quote for N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.