![4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile structure](/static/products/2053/205381-77-7.webp)
4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile
TL;DR: 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile (CAS 205381-77-7) is a chemical compound with molecular formula C20H17Cl2N7 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
Also Known As: 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile, 4-[[4-[(2,6-dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile
| Molecular Formula | C20H17Cl2N7 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.09225 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 205381-77-7 |
|---|---|
| SMILES | CN(C)C=NC1=NC(=NC(=N1)NC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)Cl |
| InChIKey | WQEMDXNZAJYTOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile (CAS 205381-77-7), with molecular formula C20H17Cl2N7 and molecular weight 425.09 g/mol. IUPAC: N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide.
Chemical Property Profile of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile
Property Insights of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile
The XLogP value of 4.8 indicates that 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile. Following Lipinski's Rule of Five, 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile has 1 hydrogen bond donor(s) and 6 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 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile?
The CAS number of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile is 205381-77-7.
What is the molecular formula of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile?
The molecular formula of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile is C20H17Cl2N7.
What is the molecular weight of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile?
The molecular weight of 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile is 425.09 g/mol.
Where can I buy 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile?
You can request a quote for 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.