![2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile structure](/static/products/3391/339102-73-7.webp)
2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile
TL;DR: 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile (CAS 339102-73-7) is a chemical compound with molecular formula C15H12ClF3N4 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile, 2-[3-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-1-dimethylamino-prop-2-enylidene]propanedinitrile, 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C15H12ClF3N4 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 4.14726 |
| Topological Polar Surface Area | 62.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.07025 |
| Heavy Atoms | 23 |
| Complexity | 705.70825 |
Chemical Identifiers
| CAS Number | 339102-73-7 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile (CAS 339102-73-7), with molecular formula C15H12ClF3N4 and molecular weight 340.07 g/mol. IUPAC: 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile
Property Insights of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile
The XLogP value of 4.14726 indicates that 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile. Following Lipinski's Rule of Five, 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile has 1 hydrogen bond donor(s) and 4 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-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile?
The CAS number of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile is 339102-73-7.
What is the molecular formula of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile?
The molecular formula of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile is C15H12ClF3N4.
What is the molecular weight of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile?
The molecular weight of 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile is 340.07 g/mol.
Where can I buy 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile?
You can request a quote for 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[2-chloro-5-(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.