![2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile structure](/static/products/4000/400082-07-7.webp)
2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile
TL;DR: 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile (CAS 400082-07-7) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-3-phenylprop-1-enyl)amino]acetonitrile
Also Known As: 2-[(3-oxo-3-phenyl-prop-1-enyl)amino]acetonitrile, 2-[(3-oxo-3-phenylprop-1-enyl)amino]acetonitrile, 2-[(3-oxo-3-phenylprop-1-en-1-yl)amino]acetonitrile, 2-{[(E)-3-oxo-3-phenyl-1-propenyl]amino}acetonitrile
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.49618 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 362.62396 |
Chemical Identifiers
| CAS Number | 400082-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CNCC#N |
Product Overview
2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile (CAS 400082-07-7), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 2-[(3-oxo-3-phenylprop-1-enyl)amino]acetonitrile.
Chemical Property Profile of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile
Property Insights of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile
The XLogP value of 1.49618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile has 1 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 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile?
The CAS number of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile is 400082-07-7.
What is the molecular formula of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile?
The molecular formula of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile is C11H10N2O.
What is the molecular weight of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile?
The molecular weight of 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile is 186.08 g/mol.
Where can I buy 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile?
You can request a quote for 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Oxo-3-phenylprop-1-enyl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.