N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 101237-22-3) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: Maybridge1_004902, BIM-0014923.P001, 7-nitro-N-(p-tolyl)benzo[c][1,2,5]oxadiazol-4-amine, J1.918.133B, N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Technical Specifications
| Molecular Formula | C13H10N4O3 |
| Molecular Weight | 270.0753 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0753 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | CC1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | DYFVQEJIEXNEAE-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-(4-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-(4-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-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-(4-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
What is the CAS number of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 101237-22-3.
What is the molecular formula of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is C13H10N4O3.
What is the molecular weight of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 270.0753 g/mol.
Where can I buy N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
Yes, CoreyChem provides custom synthesis services for N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.