![2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile structure](/static/products/7136/713-65-5.webp)
2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile
TL;DR: 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile (CAS 713-65-5) is a chemical compound with molecular formula C12H10F2N2O and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
Also Known As: 4-(Trifluoromethoxy)nitrobenzene, 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile, Benzenepropanenitrile, a-[(dimethylamino)methylene]-2,4-difluoro-b-oxo-, (E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile, 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)-acrylonitrile
| Molecular Formula | C12H10F2N2O |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 2.11658 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07613 |
| Heavy Atoms | 17 |
| Complexity | 515.7272 |
Chemical Identifiers
| CAS Number | 713-65-5 |
|---|---|
| SMILES | CN(C)C=C(C#N)C(=O)C1=C(C=C(C=C1)F)F |
Product Overview
2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile (CAS 713-65-5), with molecular formula C12H10F2N2O and molecular weight 236.08 g/mol. IUPAC: 2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile
Property Insights of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile
The XLogP value of 2.11658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile 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-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile?
The CAS number of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile is 713-65-5.
What is the molecular formula of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile?
The molecular formula of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile is C12H10F2N2O.
What is the molecular weight of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile?
The molecular weight of 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile is 236.08 g/mol.
Where can I buy 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile?
You can request a quote for 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methylene]-3-(2,4-difluorophenyl)-3-oxo-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.