N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 4808-66-6) is a chemical compound with molecular formula C12H6N6O4 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(4-Nitro-2,1,3-benzoxadiazol-5-yl)-2,1,3-benzoxadiazol-4-amine
| Molecular Formula | C12H6N6O4 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.4108 |
| Topological Polar Surface Area | 133.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.04504 |
| Heavy Atoms | 22 |
| Complexity | 1007.1242 |
Chemical Identifiers
| CAS Number | 4808-66-6 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-] |
Product Overview
N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 4808-66-6), with molecular formula C12H6N6O4 and molecular weight 298.05 g/mol. IUPAC: N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 2.4108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. The TPSA of 133.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine has 1 hydrogen bond donor(s) and 9 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-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 4808-66-6.
What is the molecular formula of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C12H6N6O4.
What is the molecular weight of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 298.05 g/mol.
Where can I buy N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.