1-(pentan-2-yl)-1H-1,2,3-benzotriazole
TL;DR: 1-(pentan-2-yl)-1H-1,2,3-benzotriazole (CAS 67246-30-4) is a chemical compound with molecular formula C11H15N3 and molecular weight 189.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentan-2-ylbenzotriazole
Also Known As: 1-pentan-2-ylbenzotriazole, 1-S-PENTABENZOTRIAZOLE, 1-(1-methylbutyl)-1H-benzotriazole, 1-(pentan-2-yl)-1H-1,2,3-benzotriazole, J1.586.196G
| Molecular Formula | C11H15N3 |
|---|---|
| Molecular Weight | 189.13 g/mol |
| LogP | 2.7924 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.1266 |
| Heavy Atoms | 14 |
| Complexity | 419.1448 |
Chemical Identifiers
| CAS Number | 67246-30-4 |
|---|---|
| SMILES | CCCC(C)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(pentan-2-yl)-1H-1,2,3-benzotriazole (CAS 67246-30-4), with molecular formula C11H15N3 and molecular weight 189.13 g/mol. IUPAC: 1-pentan-2-ylbenzotriazole.
Chemical Property Profile of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole
Property Insights of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole
The XLogP value of 2.7924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(pentan-2-yl)-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(pentan-2-yl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(pentan-2-yl)-1H-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 1-(pentan-2-yl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole is 67246-30-4.
What is the molecular formula of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole is C11H15N3.
What is the molecular weight of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(pentan-2-yl)-1H-1,2,3-benzotriazole is 189.13 g/mol.
Where can I buy 1-(pentan-2-yl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(pentan-2-yl)-1H-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 1-(pentan-2-yl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(pentan-2-yl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.