1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole
TL;DR: 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole (CAS 32987-10-3) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4,5,6,7-tetrahydrobenzotriazole
Also Known As: 1-phenyl-4,5,6,7-tetrahydro-1h-benzotriazole, 1-phenyl-4,5,6,7-tetrahydrobenzotriazole, 1-Phenyl-4,5-cyclohexeno-1,2,3-triazol, J2.744.961A, 1-phenyl-4,5,6,7-tetrahydro-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 32987-10-3 |
|---|---|
| SMILES | C1CCC2=C(C1)N=NN2C3=CC=CC=C3 |
| InChIKey | YYUSBJMBNSPUMN-UHFFFAOYSA-N |
Product Overview
1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole (CAS 32987-10-3), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 1-phenyl-4,5,6,7-tetrahydrobenzotriazole.
Chemical Property Profile of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole
Property Insights of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole 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 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole?
The CAS number of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole is 32987-10-3.
What is the molecular formula of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole?
The molecular formula of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole is C12H13N3.
What is the molecular weight of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole?
The molecular weight of 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole is 199.11 g/mol.
Where can I buy 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole?
You can request a quote for 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-4,5,6,7-tetrahydro-1h-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.