1H-Benzotriazole, 1-methyl-6-nitro-
TL;DR: 1H-Benzotriazole, 1-methyl-6-nitro- (CAS 25877-35-4) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-nitrobenzotriazole
Also Known As: 1-methyl-6-nitrobenzotriazole, 1H-Benzotriazole, 1-methyl-6-nitro-, 1-Methyl-6-nitro-1H-benzotriazole, 3-Methyl-5-nitrobenzotriazole, 1-Methyl-6-nitro-1H-1,2,3-benzotriazole
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 25877-35-4 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1 |
| InChIKey | LWEWBHHHZBJJLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzotriazole, 1-methyl-6-nitro- (CAS 25877-35-4), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 1-methyl-6-nitrobenzotriazole.
Chemical Property Profile of 1H-Benzotriazole, 1-methyl-6-nitro-
Property Insights of 1H-Benzotriazole, 1-methyl-6-nitro-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole, 1-methyl-6-nitro-. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole, 1-methyl-6-nitro-. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-methyl-6-nitro- has 0 hydrogen bond donor(s) and 4 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-Benzotriazole, 1-methyl-6-nitro-?
The CAS number of 1H-Benzotriazole, 1-methyl-6-nitro- is 25877-35-4.
What is the molecular formula of 1H-Benzotriazole, 1-methyl-6-nitro-?
The molecular formula of 1H-Benzotriazole, 1-methyl-6-nitro- is C7H6N4O2.
What is the molecular weight of 1H-Benzotriazole, 1-methyl-6-nitro-?
The molecular weight of 1H-Benzotriazole, 1-methyl-6-nitro- is 178.05 g/mol.
Where can I buy 1H-Benzotriazole, 1-methyl-6-nitro-?
You can request a quote for 1H-Benzotriazole, 1-methyl-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 1-methyl-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-methyl-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.