2-Benzoyl-3-(dimethylamino)acrylonitrile
TL;DR: 2-Benzoyl-3-(dimethylamino)acrylonitrile (CAS 174652-94-9) 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.
(E)-2-benzoyl-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-Benzoyl-3-(dimethylamino)acrylonitrile, (2E)-2-[(E)-benzoyl]-3-(dimethylamino)prop-2-enenitrile, (E)-2-benzoyl-3-(dimethylamino)prop-2-enenitrile, 7338AB, (E)-2-benzoyl-3-(dimethylamino)acrylonitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.83838 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 412.9983 |
Chemical Identifiers
| CAS Number | 174652-94-9 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C(=O)C1=CC=CC=C1 |
Product Overview
2-Benzoyl-3-(dimethylamino)acrylonitrile (CAS 174652-94-9), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: (E)-2-benzoyl-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 2-Benzoyl-3-(dimethylamino)acrylonitrile
Property Insights of 2-Benzoyl-3-(dimethylamino)acrylonitrile
The XLogP value of 1.83838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoyl-3-(dimethylamino)acrylonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-Benzoyl-3-(dimethylamino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyl-3-(dimethylamino)acrylonitrile has 0 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-Benzoyl-3-(dimethylamino)acrylonitrile?
The CAS number of 2-Benzoyl-3-(dimethylamino)acrylonitrile is 174652-94-9.
What is the molecular formula of 2-Benzoyl-3-(dimethylamino)acrylonitrile?
The molecular formula of 2-Benzoyl-3-(dimethylamino)acrylonitrile is C12H12N2O.
What is the molecular weight of 2-Benzoyl-3-(dimethylamino)acrylonitrile?
The molecular weight of 2-Benzoyl-3-(dimethylamino)acrylonitrile is 200.09 g/mol.
Where can I buy 2-Benzoyl-3-(dimethylamino)acrylonitrile?
You can request a quote for 2-Benzoyl-3-(dimethylamino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-3-(dimethylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-(dimethylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.