1-(1H-indol-3-ylmethyl)benzotriazole
TL;DR: 1-(1H-indol-3-ylmethyl)benzotriazole (CAS 28926-23-0) is a chemical compound with molecular formula C15H12N4 and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-ylmethyl)benzotriazole
Also Known As: 1-(1H-indol-3-ylmethyl)benzotriazole, 1-(1H-Indol-3-ylmethyl)-1H-1,2,3-benzotriazole, with minor 2-(1H-indol-3-yl)-(2H-1,2,3-benzotriazole regio-isomer
| Molecular Formula | C15H12N4 |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.9609 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.1062 |
| Heavy Atoms | 19 |
| Complexity | 784.4841 |
Chemical Identifiers
| CAS Number | 28926-23-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CN3C4=CC=CC=C4N=N3 |
Product Overview
1-(1H-indol-3-ylmethyl)benzotriazole (CAS 28926-23-0), with molecular formula C15H12N4 and molecular weight 248.11 g/mol. IUPAC: 1-(1H-indol-3-ylmethyl)benzotriazole.
Chemical Property Profile of 1-(1H-indol-3-ylmethyl)benzotriazole
Property Insights of 1-(1H-indol-3-ylmethyl)benzotriazole
The XLogP value of 2.9609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-indol-3-ylmethyl)benzotriazole. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(1H-indol-3-ylmethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-ylmethyl)benzotriazole 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 1-(1H-indol-3-ylmethyl)benzotriazole?
The CAS number of 1-(1H-indol-3-ylmethyl)benzotriazole is 28926-23-0.
What is the molecular formula of 1-(1H-indol-3-ylmethyl)benzotriazole?
The molecular formula of 1-(1H-indol-3-ylmethyl)benzotriazole is C15H12N4.
What is the molecular weight of 1-(1H-indol-3-ylmethyl)benzotriazole?
The molecular weight of 1-(1H-indol-3-ylmethyl)benzotriazole is 248.11 g/mol.
Where can I buy 1-(1H-indol-3-ylmethyl)benzotriazole?
You can request a quote for 1-(1H-indol-3-ylmethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-ylmethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-ylmethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.