1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-
TL;DR: 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- (CAS 40496-53-5) is a chemical compound with molecular formula C16H5Cl2F3N4 and molecular weight 379.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-6-[3-(trifluoromethyl)anilino]benzene-1,3,5-tricarbonitrile
Also Known As: 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-, 4,6-Dichloro-2-(m-trifluoromethylanilino)trimesonitrile, 4,6-Dichloro-2-(m-trifluoromethylanilino)-1,3,5-benzenetricarbonitrile, 2,4-dichloro-6-{[3-(trifluoromethyl)phenyl]amino}benzene-1,3,5-tricarbonitrile, 2,4-dichloro-6-[3-(trifluoromethyl)anilino]benzene-1,3,5-tricarbonitrile
| Molecular Formula | C16H5Cl2F3N4 |
|---|---|
| Molecular Weight | 379.98 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.98434 |
| Heavy Atoms | 25 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 40496-53-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)C(F)(F)F |
| InChIKey | IEQIOFRPNYRNQJ-UHFFFAOYSA-N |
Product Overview
1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- (CAS 40496-53-5), with molecular formula C16H5Cl2F3N4 and molecular weight 379.98 g/mol. IUPAC: 2,4-dichloro-6-[3-(trifluoromethyl)anilino]benzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-
Property Insights of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-
The XLogP value of 5.3 indicates that 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- is 40496-53-5.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- is C16H5Cl2F3N4.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- is 379.98 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-trifluoromethylanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.