1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt
TL;DR: 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt (CAS 7614-53-1) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate
Also Known As: 3-(4-Carboxyphenyl)sydnone, 3- sydnone, 3-(p-Carboxyphenyl)sydnone, Sydnone, 3-(p-carboxyphenyl)-, N-(p-Carboxyphenyl)sydnone
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 7614-53-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])[N+]2=CC(=O)ON2 |
| InChIKey | HLNFBKDFNKWLSO-UHFFFAOYSA-N |
Product Overview
1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt (CAS 7614-53-1), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 4-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate.
Chemical Property Profile of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt
Property Insights of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt has 1 hydrogen bond donor(s) and 5 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, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt?
The CAS number of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt is 7614-53-1.
What is the molecular formula of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt?
The molecular formula of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt is C9H6N2O4.
What is the molecular weight of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt?
The molecular weight of 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt is 206.03 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt?
You can request a quote for 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, 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, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.