Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide
TL;DR: Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide (CAS 58131-53-6) is a chemical compound with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
Also Known As: Benzofurazan,N-oxide, Benzofurazan, N-oxide, 4-(p-Tolylsulfonyl)-7-(2-pyridylthio-N-oxide)benzofurazan, BENZOFURAZAN, 4-((4-METHYLPHENYL)SULFONYL)-7-(2-PYRIDINYLTHIO)-, N-OXIDE, 4-((4-Methylphenyl)sulfonyl)-7-(2-pyridinylthio)benzofurazan N-oxide
| Molecular Formula | C18H13N3O4S2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.03476 |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 58131-53-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=NON=C23)SC4=CC=CC=[N+]4[O-] |
| InChIKey | BCHFBYJCFWYZKB-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide (CAS 58131-53-6), with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole.
Chemical Property Profile of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide
Property Insights of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide. Following Lipinski's Rule of Five, Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-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 Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide?
The CAS number of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide is 58131-53-6.
What is the molecular formula of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide?
The molecular formula of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide is C18H13N3O4S2.
What is the molecular weight of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide?
The molecular weight of Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide is 399.03 g/mol.
Where can I buy Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide?
You can request a quote for Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.