1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
TL;DR: 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- (CAS 23195-59-7) is a chemical compound with molecular formula C8H6ClN3 and molecular weight 179.02502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-1H-1,2,4-triazole
Also Known As: 3-(4-Chlorophenyl)-4H-1,2,4-triazole, 3-(4-Chlorophenyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-, 5-(4-chlorophenyl)-1H-1,2,4-triazole, p-chlorophenyl-1,2,4-triazole
Technical Specifications
| Molecular Formula | C8H6ClN3 |
| Molecular Weight | 179.02502 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02502 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C1=CC(=CC=C1C2=NC=NN2)Cl |
| InChIKey | HWGUIDNOUFWKEA-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
Property Insights of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-?
The CAS number of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- is 23195-59-7.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-?
The molecular formula of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- is C8H6ClN3.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-?
The molecular weight of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- is 179.02502 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-?
You can request a quote for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.