1H-苯并三唑-4-胺
TL;DR: 1H-苯并三唑-4-胺 (CAS 18076-61-4) 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.
1H-苯并三唑-4-胺
2H-benzotriazol-4-amine
Also Known As: 1H-1,2,3-benzotriazol-4-amine, 1H-Benzotriazol-4-amine, aminobenzotriazole, 2H-benzotriazol-4-amine, 1H-Benzotriazol-7-amine
| Molecular Formula | C6H6N4 |
|---|---|
| Molecular Weight | 134.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.05925 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 18076-61-4 |
|---|---|
| SMILES | C1=CC2=NNN=C2C(=C1)N |
| InChIKey | ZDWPBMJZDNXTPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-苯并三唑-4-胺 (CAS 18076-61-4), with molecular formula C6H6N4 and molecular weight 134.06 g/mol. IUPAC: 2H-benzotriazol-4-amine.
Chemical Property Profile of 1H-苯并三唑-4-胺
Property Insights of 1H-苯并三唑-4-胺
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-苯并三唑-4-胺. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-苯并三唑-4-胺. Following Lipinski's Rule of Five, 1H-苯并三唑-4-胺 has 2 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 1H-苯并三唑-4-胺?
The CAS number of 1H-苯并三唑-4-胺 is 18076-61-4.
What is the molecular formula of 1H-苯并三唑-4-胺?
The molecular formula of 1H-苯并三唑-4-胺 is C6H6N4.
What is the molecular weight of 1H-苯并三唑-4-胺?
The molecular weight of 1H-苯并三唑-4-胺 is 134.06 g/mol.
Where can I buy 1H-苯并三唑-4-胺?
You can request a quote for 1H-苯并三唑-4-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-苯并三唑-4-胺?
Yes, KEHONG BIO provides custom synthesis services for 1H-苯并三唑-4-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.