1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt
TL;DR: 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt (CAS 85795-90-0) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate
Also Known As: 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt, 4-(diethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate, 4-(Diethylsulfamoyl)-3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 85795-90-0 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=C(ON=[N+]1C2=CC=CC=C2C)[O-] |
| InChIKey | ZXNNFZZQVGSRGJ-UHFFFAOYSA-N |
Product Overview
1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt (CAS 85795-90-0), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 4-(diethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt
Property Insights of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt
The XLogP value of 3.4 indicates that 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt has 0 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 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt?
The CAS number of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt is 85795-90-0.
What is the molecular formula of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt?
The molecular formula of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt is C13H17N3O4S.
What is the molecular weight of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt?
The molecular weight of 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt is 311.09 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt?
You can request a quote for 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 4-((diethylamino)sulfonyl)-5-hydroxy-3-(2-methylphenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.