4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
TL;DR: 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine (CAS 18378-15-9) is a chemical compound with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
Also Known As: 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine, 4-Benzofurazanamine, 7-nitro-N-phenyl-, N-Phenyl-7-nitro-4-benzofurazanamine, N-Phenyl-7-nitrobenzofurazane-4-amine, 7-nitro-N-phenylbenzo[c][1,2,5]oxadiazol-4-amine
| Molecular Formula | C12H8N4O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.05963 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 18378-15-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | FPCBQKODIUMKDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine (CAS 18378-15-9), with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol. IUPAC: 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
Property Insights of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine. Following Lipinski's Rule of Five, 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-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 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine?
The CAS number of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine is 18378-15-9.
What is the molecular formula of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine?
The molecular formula of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine is C12H8N4O3.
What is the molecular weight of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine?
The molecular weight of 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine is 256.06 g/mol.
Where can I buy 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine?
You can request a quote for 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.