![2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile structure](/static/products/3395/339558-61-1.webp)
2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile
TL;DR: 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile (CAS 339558-61-1) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(4-oxo-4-phenylbut-2-en-2-yl)amino]but-2-enedinitrile
Also Known As: 2-AMINO-1-((1-METHYL-3-OXO-3-PHENYLPROP-1-ENYL)AMINO)ETHENE-1,2-DICARBONITRILE, 2-amino-3-[(4-oxo-4-phenylbut-2-en-2-yl)amino]but-2-enedinitrile, 2-amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile, 2-amino-3-[(4-oxo-4-phenyl-but-2-en-2-yl)amino]but-2-enedinitrile, (Z)-2-amino-3-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]but-2-enedinitrile
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.58016 |
| Topological Polar Surface Area | 102.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 615.0863 |
Chemical Identifiers
| CAS Number | 339558-61-1 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=CC=C1)NC(=C(C#N)N)C#N |
Product Overview
2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile (CAS 339558-61-1), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: 2-amino-3-[(4-oxo-4-phenylbut-2-en-2-yl)amino]but-2-enedinitrile.
Chemical Property Profile of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile
Property Insights of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile
The XLogP value of 1.58016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile. The TPSA of 102.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile. Following Lipinski's Rule of Five, 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile has 2 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-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile?
The CAS number of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile is 339558-61-1.
What is the molecular formula of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile?
The molecular formula of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile is C14H12N4O.
What is the molecular weight of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile?
The molecular weight of 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile is 252.10 g/mol.
Where can I buy 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile?
You can request a quote for 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.