1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine
TL;DR: 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine (CAS 73953-90-9) is a chemical compound with molecular formula C9H6Cl2N4 and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Also Known As: 3-(2,4-Dichlorobenzylideneamino)-1H-1,2,4-triazole, 1H-1,2,4-Triazol-3-amine, N-((2,4-dichlorophenyl)methylene)-, 1H-1,2,4-Triazole, 3-(2,4-dichlorobenzylideneamino)-, 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine, 1H-1,2,4-Triazol-3-amine, N-[(2,4-dichlorophenyl)methylene]-
| Molecular Formula | C9H6Cl2N4 |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.99695 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 73953-90-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=NC2=NC=NN2 |
| InChIKey | IKZFQFDQQNFWNI-UHFFFAOYSA-N |
Product Overview
1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine (CAS 73953-90-9), with molecular formula C9H6Cl2N4 and molecular weight 240.00 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
Chemical Property Profile of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine
Property Insights of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine. With a topological polar surface area (TPSA) of 53.9 Ų, 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine has 1 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 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine?
The CAS number of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine is 73953-90-9.
What is the molecular formula of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine?
The molecular formula of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine is C9H6Cl2N4.
What is the molecular weight of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine?
The molecular weight of 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine is 240.00 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine?
You can request a quote for 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorophenyl)-N-(1H-1,2,4-triazol-3-YL)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.