4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole
TL;DR: 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole (CAS 97346-17-3) is a chemical compound with molecular formula C12H7N5O5 and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-N-phenyl-2,1,3-benzoxadiazol-4-amine
Also Known As: 4,6-dinitro-7-phenylaminobenzofurazan, 4-anilino-5,7-bisnitro-2,1,3-benzoxadiazole, 5,7-dinitro-N-phenyl-2,1,3-benzoxadiazol-4-amine
| Molecular Formula | C12H7N5O5 |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.7828 |
| Topological Polar Surface Area | 137.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0447 |
| Heavy Atoms | 22 |
| Complexity | 876.24927 |
Chemical Identifiers
| CAS Number | 97346-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole (CAS 97346-17-3), with molecular formula C12H7N5O5 and molecular weight 301.04 g/mol. IUPAC: 5,7-dinitro-N-phenyl-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole
Property Insights of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole
The XLogP value of 2.7828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole. The TPSA of 137.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole has 1 hydrogen bond donor(s) and 8 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 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole?
The CAS number of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole is 97346-17-3.
What is the molecular formula of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole?
The molecular formula of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole is C12H7N5O5.
What is the molecular weight of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole?
The molecular weight of 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole is 301.04 g/mol.
Where can I buy 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole?
You can request a quote for 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-5,7-bisnitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.