4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
TL;DR: 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine (CAS 18378-16-0) 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-5-amine
Also Known As: 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine, 5-Anilino-4-nitrobenzofurazane, Benzofurazan, 5-anilino-4-nitro-, 5-Anilino-4-nitro-benzofurazan, N-Phenyl-4-nitro-5-benzofurazanamine
| Molecular Formula | C12H8N4O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 3.1 |
| 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 | 18378-16-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] |
| InChIKey | IHCHOLYMZNREBZ-UHFFFAOYSA-N |
Product Overview
4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine (CAS 18378-16-0), with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol. IUPAC: 4-nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
Property Insights of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
The XLogP value of 3.1 indicates that 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-5-amine. Following Lipinski's Rule of Five, 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-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-5-amine?
The CAS number of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine is 18378-16-0.
What is the molecular formula of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine?
The molecular formula of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine is C12H8N4O3.
What is the molecular weight of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine?
The molecular weight of 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine is 256.06 g/mol.
Where can I buy 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine?
You can request a quote for 4-Nitro-N-phenyl-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 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.