N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 18378-29-5) 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.
N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine, 4-(Methylamino)-7-nitro-2,1,3-benzoxadiazole, Benzofurazan, 4-(methylamino)-7-nitro-, N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine, 4-(Methylamino)-7-nitrobenzofurazane
| Molecular Formula | C7H6N4O3 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.04399 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 18378-29-5 |
|---|---|
| SMILES | CNC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | UAPBYPSUWZVMRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 18378-29-5), with molecular formula C7H6N4O3 and molecular weight 194.04 g/mol. IUPAC: N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine 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-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine is 18378-29-5.
What is the molecular formula of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine is C7H6N4O3.
What is the molecular weight of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine is 194.04 g/mol.
Where can I buy N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.