4,5-Dimethyl-2-phenyltriazole
TL;DR: 4,5-Dimethyl-2-phenyltriazole (CAS 58737-90-9) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-phenyltriazole
Also Known As: 4,5-dimethyl-2-phenyltriazole, 4,5-dimethyl-2-phenyl-triazole, 4,5-dimethyl-2-phenyl-1,2,3-triazole, 4,5-dimethyl-2-phenyl-2H-1,2,3-triazole, 4,5-Dimethyl-2-phenyl-2H-[1,2,3]triazol
| Molecular Formula | C10H11N3 |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 1.88414 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.09529 |
| Heavy Atoms | 13 |
| Complexity | 383.86313 |
Chemical Identifiers
| CAS Number | 58737-90-9 |
|---|---|
| SMILES | CC1=NN(N=C1C)C2=CC=CC=C2 |
Product Overview
4,5-Dimethyl-2-phenyltriazole (CAS 58737-90-9), with molecular formula C10H11N3 and molecular weight 173.10 g/mol. IUPAC: 4,5-dimethyl-2-phenyltriazole.
Chemical Property Profile of 4,5-Dimethyl-2-phenyltriazole
Property Insights of 4,5-Dimethyl-2-phenyltriazole
The XLogP value of 1.88414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-2-phenyltriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 4,5-Dimethyl-2-phenyltriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-phenyltriazole 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
Frequently Asked Questions
What is the CAS number of 4,5-Dimethyl-2-phenyltriazole?
The CAS number of 4,5-Dimethyl-2-phenyltriazole is 58737-90-9.
What is the molecular formula of 4,5-Dimethyl-2-phenyltriazole?
The molecular formula of 4,5-Dimethyl-2-phenyltriazole is C10H11N3.
What is the molecular weight of 4,5-Dimethyl-2-phenyltriazole?
The molecular weight of 4,5-Dimethyl-2-phenyltriazole is 173.10 g/mol.
Where can I buy 4,5-Dimethyl-2-phenyltriazole?
You can request a quote for 4,5-Dimethyl-2-phenyltriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-phenyltriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-phenyltriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.