N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide
TL;DR: N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide (CAS 638147-41-8) is a chemical compound with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methyltetrazol-5-yl)-2-nitrobenzamide
Also Known As: Benzamide,N- -2-nitro-, N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide, N-(1-methyltetrazol-5-yl)-2-nitrobenzamide, N-(1-methyltetrazol-5-yl)-2-nitro-benzamide, BENZAMIDE,N-(1-METHYL-1H-TETRAZOL-5-YL)-2-NITRO
| Molecular Formula | C9H8N6O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.3706 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06578 |
| Heavy Atoms | 18 |
| Complexity | 607.85535 |
Chemical Identifiers
| CAS Number | 638147-41-8 |
|---|---|
| SMILES | CN1C(=NN=N1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide (CAS 638147-41-8), with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol. IUPAC: N-(1-methyltetrazol-5-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide
Property Insights of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide
The XLogP value of 0.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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 N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide?
The CAS number of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide is 638147-41-8.
What is the molecular formula of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide?
The molecular formula of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide is C9H8N6O3.
What is the molecular weight of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide?
The molecular weight of N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide is 248.07 g/mol.
Where can I buy N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide?
You can request a quote for N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-1H-tetrazol-5-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.