1-Benzhydryl-1,2,4-triazole
TL;DR: 1-Benzhydryl-1,2,4-triazole (CAS 102993-98-6) is a chemical compound with molecular formula C15H13N3 and molecular weight 235.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzhydryl-1,2,4-triazole
Also Known As: 1-benzhydryl-1,2,4-triazole, 1-Benzhydryl-1H-1,2,4-triazole, Methyl4-chloro-6-methylnicotinate, 1H-1,2,4-Triazole,1-(diphenylmethyl)-, 1-(diphenylmethyl)-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C15H13N3 |
| Molecular Weight | 235.11095 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.11095 Da |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=NC=N3 |
| InChIKey | JSUBMVCFGBTKEB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzhydryl-1,2,4-triazole
Property Insights of 1-Benzhydryl-1,2,4-triazole
The XLogP value of 3.3 indicates that 1-Benzhydryl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Benzhydryl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-1,2,4-triazole has 0 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 1-Benzhydryl-1,2,4-triazole?
The CAS number of 1-Benzhydryl-1,2,4-triazole is 102993-98-6.
What is the molecular formula of 1-Benzhydryl-1,2,4-triazole?
The molecular formula of 1-Benzhydryl-1,2,4-triazole is C15H13N3.
What is the molecular weight of 1-Benzhydryl-1,2,4-triazole?
The molecular weight of 1-Benzhydryl-1,2,4-triazole is 235.11095 g/mol.
Where can I buy 1-Benzhydryl-1,2,4-triazole?
You can request a quote for 1-Benzhydryl-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzhydryl-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-Benzhydryl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.