5-Nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: 5-Nitro-2,1,3-benzoxadiazol-4-amine (CAS 22250-46-0) is a chemical compound with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2,1,3-benzoxadiazol-4-amine
Also Known As: 5-nitro-2,1,3-benzoxadiazol-4-amine, 4-Amino-5-nitrobenzofurazane, 5-Nitrobenzofurazane-4-amine, Benzofurazan-4-amine, 5-nitro-, ZERO/001430
| Molecular Formula | C6H4N4O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02834 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 22250-46-0 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1[N+](=O)[O-])N |
| InChIKey | PCUQFNPRWPTYMP-UHFFFAOYSA-N |
Product Overview
5-Nitro-2,1,3-benzoxadiazol-4-amine (CAS 22250-46-0), with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol. IUPAC: 5-nitro-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of 5-Nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of 5-Nitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2,1,3-benzoxadiazol-4-amine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, 5-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
Frequently Asked Questions
What is the CAS number of 5-Nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of 5-Nitro-2,1,3-benzoxadiazol-4-amine is 22250-46-0.
What is the molecular formula of 5-Nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of 5-Nitro-2,1,3-benzoxadiazol-4-amine is C6H4N4O3.
What is the molecular weight of 5-Nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of 5-Nitro-2,1,3-benzoxadiazol-4-amine is 180.03 g/mol.
Where can I buy 5-Nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for 5-Nitro-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.