![2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile structure](/static/products/5646/56464-51-8.webp)
2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile
TL;DR: 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile (CAS 56464-51-8) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile
Also Known As: 2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile, 2-((4-Oxo-4-phenylbut-2-en-2-yl)amino)acetonitrile, [(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile, 2-[(1-METHYL-3-OXO-3-PHENYL-1-PROPENYL)AMINO]-ACETONITRILE, 2-[(4-oxo-4-phenyl-but-2-en-2-yl)amino]acetonitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.88628 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 401.38034 |
Chemical Identifiers
| CAS Number | 56464-51-8 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=CC=C1)NCC#N |
Product Overview
2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile (CAS 56464-51-8), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile.
Chemical Property Profile of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile
Property Insights of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile
The XLogP value of 1.88628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Oxo-4-phenylbut-2-en-2-yl)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-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile?
The CAS number of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile is 56464-51-8.
What is the molecular formula of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile?
The molecular formula of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile is C12H12N2O.
What is the molecular weight of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile?
The molecular weight of 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile is 200.09 g/mol.
Where can I buy 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile?
You can request a quote for 2-[(4-Oxo-4-phenylbut-2-en-2-yl)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-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Oxo-4-phenylbut-2-en-2-yl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.