1-Pentabenzotriazole
TL;DR: 1-Pentabenzotriazole (CAS 69218-26-4) 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-pentylbenzotriazole
Also Known As: 1-pentylbenzotriazole, 1-Pentyl-1H-1,2,3-benzotriazole, 1-PENTABENZOTRIAZOLE, 1-Pentyl-1H-benzotriazole, 1-pentyl-1h-benzo[d][1,2,3]triazole
| Molecular Formula | C11H15N3 |
|---|---|
| Molecular Weight | 189.13 g/mol |
| LogP | 2.6215 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.1266 |
| Heavy Atoms | 14 |
| Complexity | 405.57977 |
Chemical Identifiers
| CAS Number | 69218-26-4 |
|---|---|
| SMILES | CCCCCN1C2=CC=CC=C2N=N1 |
Product Overview
1-Pentabenzotriazole (CAS 69218-26-4), with molecular formula C11H15N3 and molecular weight 189.13 g/mol. IUPAC: 1-pentylbenzotriazole.
Chemical Property Profile of 1-Pentabenzotriazole
Property Insights of 1-Pentabenzotriazole
The XLogP value of 2.6215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentabenzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-Pentabenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentabenzotriazole 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-Pentabenzotriazole?
The CAS number of 1-Pentabenzotriazole is 69218-26-4.
What is the molecular formula of 1-Pentabenzotriazole?
The molecular formula of 1-Pentabenzotriazole is C11H15N3.
What is the molecular weight of 1-Pentabenzotriazole?
The molecular weight of 1-Pentabenzotriazole is 189.13 g/mol.
Where can I buy 1-Pentabenzotriazole?
You can request a quote for 1-Pentabenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentabenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentabenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.