Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide
TL;DR: Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide (CAS 53619-77-5) is a chemical compound with molecular formula C20H16N2O6S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-bis-(4-methylphenyl)sulfonyl-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 4,7-Bis(p-tolylsulfonyl)benzofuroxan, 4.7-Bis-phenylsulphonylbenzofurazan, 2,1,3-Benzoxadiazole,4,7-bis(phenylsulfonyl)-, BENZOFURAZAN, 4,7-BIS((4-METHYLPHENYL)SULFONYL)-, 1-OXIDE, 4,7-Bis((4-methylphenyl)sulfonyl)benzofurazon 1-oxide
| Molecular Formula | C20H16N2O6S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.04498 |
| Heavy Atoms | 30 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 53619-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | KYPKSNSADFFYFW-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide (CAS 53619-77-5), with molecular formula C20H16N2O6S2 and molecular weight 444.04 g/mol. IUPAC: 4,7-bis-(4-methylphenyl)sulfonyl-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide
Property Insights of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide
The XLogP value of 3.7 indicates that Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide. Following Lipinski's Rule of Five, Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 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 Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide?
The CAS number of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide is 53619-77-5.
What is the molecular formula of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide?
The molecular formula of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide is C20H16N2O6S2.
What is the molecular weight of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide?
The molecular weight of Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide is 444.04 g/mol.
Where can I buy Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide?
You can request a quote for Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.