1-Tert-butylbenzotriazole
TL;DR: 1-Tert-butylbenzotriazole (CAS 67246-29-1) is a chemical compound with molecular formula C10H13N3 and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylbenzotriazole
Also Known As: 1-tert-butylbenzotriazole, 1-(tert-butyl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C10H13N3 |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 2.1863 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.11095 |
| Heavy Atoms | 13 |
| Complexity | 422.90762 |
Chemical Identifiers
| CAS Number | 67246-29-1 |
|---|---|
| SMILES | CC(C)(C)N1C2=CC=CC=C2N=N1 |
Product Overview
1-Tert-butylbenzotriazole (CAS 67246-29-1), with molecular formula C10H13N3 and molecular weight 175.11 g/mol. IUPAC: 1-tert-butylbenzotriazole.
Chemical Property Profile of 1-Tert-butylbenzotriazole
Property Insights of 1-Tert-butylbenzotriazole
The XLogP value of 2.1863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butylbenzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-Tert-butylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butylbenzotriazole 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-Tert-butylbenzotriazole?
The CAS number of 1-Tert-butylbenzotriazole is 67246-29-1.
What is the molecular formula of 1-Tert-butylbenzotriazole?
The molecular formula of 1-Tert-butylbenzotriazole is C10H13N3.
What is the molecular weight of 1-Tert-butylbenzotriazole?
The molecular weight of 1-Tert-butylbenzotriazole is 175.11 g/mol.
Where can I buy 1-Tert-butylbenzotriazole?
You can request a quote for 1-Tert-butylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.