3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole
TL;DR: 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole (CAS 66074-00-8) is a chemical compound with molecular formula C16H14N2O6S2 and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis-(4-methylphenyl)sulfonyl-2-oxido-1,2,5-oxadiazol-2-ium
Also Known As: TimTec1_002444, J3.794.385A, 3,4-bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole, BRD-K88025022-001-01-9, 3,4-bis[(4-methylphenyl)sulfonyl]-1,2,5-oxadiazol-2-ol
| Molecular Formula | C16H14N2O6S2 |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 1.59044 |
| Topological Polar Surface Area | 121.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.02933 |
| Heavy Atoms | 26 |
| Complexity | 1162.4829 |
Chemical Identifiers
| CAS Number | 66074-00-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=NO[N+](=C2S(=O)(=O)C3=CC=C(C=C3)C)[O-] |
Product Overview
3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole (CAS 66074-00-8), with molecular formula C16H14N2O6S2 and molecular weight 394.03 g/mol. IUPAC: 3,4-bis-(4-methylphenyl)sulfonyl-2-oxido-1,2,5-oxadiazol-2-ium.
Chemical Property Profile of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole
Property Insights of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole
The XLogP value of 1.59044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole. The TPSA of 121.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole. Following Lipinski's Rule of Five, 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole 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 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole?
The CAS number of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole is 66074-00-8.
What is the molecular formula of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole?
The molecular formula of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole is C16H14N2O6S2.
What is the molecular weight of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole?
The molecular weight of 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole is 394.03 g/mol.
Where can I buy 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole?
You can request a quote for 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(phenylsulfonyl)-2-oxide-1,2,5-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.