s-Triazole, 3-(o-cumenyl)-5-phenyl-
TL;DR: s-Triazole, 3-(o-cumenyl)-5-phenyl- (CAS 71375-94-5) is a chemical compound with molecular formula C17H17N3 and molecular weight 263.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(2-propan-2-ylphenyl)-1H-1,2,4-triazole
Also Known As: s-Triazole, 3-(o-cumenyl)-5-phenyl-, 3-(o-Cumenyl)-5-phenyl-s-triazole, 3-5-phenyl-1h-1,2,4-triazole, 3-(o-Isopropylphenyl)-5-phenyl-s-triazole, 3- -5-phenyl-1H-1,2,4-triazole
| Molecular Formula | C17H17N3 |
|---|---|
| Molecular Weight | 263.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.14224 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 71375-94-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1C2=NC(=NN2)C3=CC=CC=C3 |
| InChIKey | UZYSRLVDUAGZEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Triazole, 3-(o-cumenyl)-5-phenyl- (CAS 71375-94-5), with molecular formula C17H17N3 and molecular weight 263.14 g/mol. IUPAC: 3-phenyl-5-(2-propan-2-ylphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-(o-cumenyl)-5-phenyl-
Property Insights of s-Triazole, 3-(o-cumenyl)-5-phenyl-
The XLogP value of 4.4 indicates that s-Triazole, 3-(o-cumenyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, s-Triazole, 3-(o-cumenyl)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 3-(o-cumenyl)-5-phenyl- 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
Frequently Asked Questions
What is the CAS number of s-Triazole, 3-(o-cumenyl)-5-phenyl-?
The CAS number of s-Triazole, 3-(o-cumenyl)-5-phenyl- is 71375-94-5.
What is the molecular formula of s-Triazole, 3-(o-cumenyl)-5-phenyl-?
The molecular formula of s-Triazole, 3-(o-cumenyl)-5-phenyl- is C17H17N3.
What is the molecular weight of s-Triazole, 3-(o-cumenyl)-5-phenyl-?
The molecular weight of s-Triazole, 3-(o-cumenyl)-5-phenyl- is 263.14 g/mol.
Where can I buy s-Triazole, 3-(o-cumenyl)-5-phenyl-?
You can request a quote for s-Triazole, 3-(o-cumenyl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 3-(o-cumenyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(o-cumenyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.