N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 101237-21-2) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: AMS_CNC_ID-182426819, BIM-0048161.P001, 4-nitro-N-(o-tolyl)-2,1,3-benzoxadiazol-7-amine, N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine, N-(2-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
| Molecular Formula | C13H10N4O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0753 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 101237-21-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | ISVONNYLGIYJIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 101237-21-2), with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol. IUPAC: N-(2-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methylphenyl)-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-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-(2-methylphenyl)-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-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 101237-21-2.
What is the molecular formula of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is C13H10N4O3.
What is the molecular weight of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 270.08 g/mol.
Where can I buy N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-(2-methylphenyl)-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-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.