1-氨基苯并三唑
TL;DR: 1-氨基苯并三唑 (CAS 1614-12-6) is a chemical compound with molecular formula C6H6N4 and molecular weight 134.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氨基苯并三唑
benzotriazol-1-amine
Also Known As: 1-aminobenzotriazole, 1H-Benzotriazol-1-amine, benzotriazol-1-amine, 1-Benzotriazolamine, 1H-benzo[d][1,2,3]triazol-1-amine
| Molecular Formula | C6H6N4 |
|---|---|
| Molecular Weight | 134.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.05925 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Solubility | 0.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1614-12-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2N |
| InChIKey | JCXKHYLLVKZPKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氨基苯并三唑 (CAS 1614-12-6), with molecular formula C6H6N4 and molecular weight 134.06 g/mol. IUPAC: benzotriazol-1-amine.
Chemical Property Profile of 1-氨基苯并三唑
Property Insights of 1-氨基苯并三唑
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氨基苯并三唑. With a topological polar surface area (TPSA) of 56.7 Ų, 1-氨基苯并三唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氨基苯并三唑 has 1 hydrogen bond donor(s) and 3 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-氨基苯并三唑?
The CAS number of 1-氨基苯并三唑 is 1614-12-6.
What is the molecular formula of 1-氨基苯并三唑?
The molecular formula of 1-氨基苯并三唑 is C6H6N4.
What is the molecular weight of 1-氨基苯并三唑?
The molecular weight of 1-氨基苯并三唑 is 134.06 g/mol.
Where can I buy 1-氨基苯并三唑?
You can request a quote for 1-氨基苯并三唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氨基苯并三唑?
Yes, KEHONG BIO provides custom synthesis services for 1-氨基苯并三唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.