2-isopropyl-2H-1,2,3-benzotriazole
TL;DR: 2-isopropyl-2H-1,2,3-benzotriazole (CAS 69218-31-1) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylbenzotriazole
Also Known As: 2-propan-2-ylbenzotriazole, 2-isopropyl-2H-1,2,3-benzotriazole, 2-Isopropyl-2H-benzo[d][1,2,3]triazole, 2H-Benzotriazole, 2-(1-methylethyl)-, 2-(propan-2-yl)-2H-1,2,3-benzotriazole
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 69218-31-1 |
|---|---|
| SMILES | CC(C)N1N=C2C=CC=CC2=N1 |
| InChIKey | TYNHWMHRAXGFGH-UHFFFAOYSA-N |
Product Overview
2-isopropyl-2H-1,2,3-benzotriazole (CAS 69218-31-1), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-propan-2-ylbenzotriazole.
Chemical Property Profile of 2-isopropyl-2H-1,2,3-benzotriazole
Property Insights of 2-isopropyl-2H-1,2,3-benzotriazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-isopropyl-2H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 2-isopropyl-2H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-isopropyl-2H-1,2,3-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 2-isopropyl-2H-1,2,3-benzotriazole?
The CAS number of 2-isopropyl-2H-1,2,3-benzotriazole is 69218-31-1.
What is the molecular formula of 2-isopropyl-2H-1,2,3-benzotriazole?
The molecular formula of 2-isopropyl-2H-1,2,3-benzotriazole is C9H11N3.
What is the molecular weight of 2-isopropyl-2H-1,2,3-benzotriazole?
The molecular weight of 2-isopropyl-2H-1,2,3-benzotriazole is 161.10 g/mol.
Where can I buy 2-isopropyl-2H-1,2,3-benzotriazole?
You can request a quote for 2-isopropyl-2H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-isopropyl-2H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 2-isopropyl-2H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.