2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide
TL;DR: 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide (CAS 113104-25-9) is a chemical compound with molecular formula C11H6N4O4S and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
Also Known As: s8312, 2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)pyridine 1-oxide, SID:441325532, 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole, J3.102.591E
| Molecular Formula | C11H6N4O4S |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.011 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 113104-25-9 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-] |
| InChIKey | ICCFXXDUYSPKOL-UHFFFAOYSA-N |
Product Overview
2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide (CAS 113104-25-9), with molecular formula C11H6N4O4S and molecular weight 290.01 g/mol. IUPAC: 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole.
Chemical Property Profile of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide
Property Insights of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide. Following Lipinski's Rule of Five, 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide has 0 hydrogen bond donor(s) and 7 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 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide?
The CAS number of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide is 113104-25-9.
What is the molecular formula of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide?
The molecular formula of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide is C11H6N4O4S.
What is the molecular weight of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide?
The molecular weight of 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide is 290.01 g/mol.
Where can I buy 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide?
You can request a quote for 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-((7-Nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.