1-Hydroxy-6-nitrobenzotriazole
TL;DR: 1-Hydroxy-6-nitrobenzotriazole (CAS 40422-81-9) is a chemical compound with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-6-nitrobenzotriazole
Also Known As: 1-Hydroxy-6-nitrobenzotriazole, OHNBT, 6-Nitro-benzotriazol-1-ol, 6-nitrobenzotriazol-1-ol, 6-nitrobenzotriazole N-oxide
| Molecular Formula | C6H4N4O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02834 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 40422-81-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)O |
| InChIKey | HZPVTKPGROKWRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxy-6-nitrobenzotriazole (CAS 40422-81-9), with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol. IUPAC: 1-hydroxy-6-nitrobenzotriazole.
Chemical Property Profile of 1-Hydroxy-6-nitrobenzotriazole
Property Insights of 1-Hydroxy-6-nitrobenzotriazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-6-nitrobenzotriazole. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-6-nitrobenzotriazole. Following Lipinski's Rule of Five, 1-Hydroxy-6-nitrobenzotriazole has 1 hydrogen bond donor(s) and 5 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-Hydroxy-6-nitrobenzotriazole?
The CAS number of 1-Hydroxy-6-nitrobenzotriazole is 40422-81-9.
What is the molecular formula of 1-Hydroxy-6-nitrobenzotriazole?
The molecular formula of 1-Hydroxy-6-nitrobenzotriazole is C6H4N4O3.
What is the molecular weight of 1-Hydroxy-6-nitrobenzotriazole?
The molecular weight of 1-Hydroxy-6-nitrobenzotriazole is 180.03 g/mol.
Where can I buy 1-Hydroxy-6-nitrobenzotriazole?
You can request a quote for 1-Hydroxy-6-nitrobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-6-nitrobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-6-nitrobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.