1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt
TL;DR: 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt (CAS 85795-97-7) is a chemical compound with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate
Also Known As: 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt, 4-(ethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate, 4-(Ethylsulfamoyl)-3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate, Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
| Molecular Formula | C11H13N3O4S |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.06268 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 85795-97-7 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=C(ON=[N+]1C2=CC=CC=C2C)[O-] |
| InChIKey | SBDYUCBTDUGRNW-UHFFFAOYSA-N |
Product Overview
1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt (CAS 85795-97-7), with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol. IUPAC: 4-(ethylsulfamoyl)-3-(2-methylphenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt
Property Insights of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt
The XLogP value of 3.4 indicates that 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt has 1 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-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt?
The CAS number of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt is 85795-97-7.
What is the molecular formula of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt?
The molecular formula of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt is C11H13N3O4S.
What is the molecular weight of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt?
The molecular weight of 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt is 283.06 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt?
You can request a quote for 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-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-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 4-((ethylamino)sulfonyl)-5-hydroxy-3-(3-methylphenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.