1-Methoxy-6-nitro-1H-benzotriazole
TL;DR: 1-Methoxy-6-nitro-1H-benzotriazole (CAS 40422-82-0) is a chemical compound with molecular formula C7H6N4O3 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-6-nitrobenzotriazole
Also Known As: 1-methoxy-6-nitrobenzotriazole, 1-Methoxy-6-nitro-1H-benzotriazole, 1-methoxy-6-nitro-benzotriazole, 1-Methoxy-6-nitro-1H-benzotriazol, 1-Methoxy-6-nitro-1H-1,2,3-benzotriazole
| Molecular Formula | C7H6N4O3 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.04399 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 40422-82-0 |
|---|---|
| SMILES | CON1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1 |
| InChIKey | VTSGUSOSMBPCHJ-UHFFFAOYSA-N |
Product Overview
1-Methoxy-6-nitro-1H-benzotriazole (CAS 40422-82-0), with molecular formula C7H6N4O3 and molecular weight 194.04 g/mol. IUPAC: 1-methoxy-6-nitrobenzotriazole.
Chemical Property Profile of 1-Methoxy-6-nitro-1H-benzotriazole
Property Insights of 1-Methoxy-6-nitro-1H-benzotriazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-6-nitro-1H-benzotriazole. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-6-nitro-1H-benzotriazole. Following Lipinski's Rule of Five, 1-Methoxy-6-nitro-1H-benzotriazole has 0 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-Methoxy-6-nitro-1H-benzotriazole?
The CAS number of 1-Methoxy-6-nitro-1H-benzotriazole is 40422-82-0.
What is the molecular formula of 1-Methoxy-6-nitro-1H-benzotriazole?
The molecular formula of 1-Methoxy-6-nitro-1H-benzotriazole is C7H6N4O3.
What is the molecular weight of 1-Methoxy-6-nitro-1H-benzotriazole?
The molecular weight of 1-Methoxy-6-nitro-1H-benzotriazole is 194.04 g/mol.
Where can I buy 1-Methoxy-6-nitro-1H-benzotriazole?
You can request a quote for 1-Methoxy-6-nitro-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-6-nitro-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-6-nitro-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.