3-(Carboxyphenyl)sydnone
TL;DR: 3-(Carboxyphenyl)sydnone (CAS 26537-65-5) 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.
2-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate
Also Known As: 3- sydnone, 3-(carboxyphenyl)sydnone, 3-(2-Carboxyphenyl)sydnone, Sydnone, 3-(o-carboxyphenyl)-, 2-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate
| 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 | 321.0 |
Chemical Identifiers
| CAS Number | 26537-65-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])[N+]2=CC(=O)ON2 |
| InChIKey | QQNNHZWOKMLPIW-UHFFFAOYSA-N |
Product Overview
3-(Carboxyphenyl)sydnone (CAS 26537-65-5), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 2-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate.
Chemical Property Profile of 3-(Carboxyphenyl)sydnone
Property Insights of 3-(Carboxyphenyl)sydnone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Carboxyphenyl)sydnone. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxyphenyl)sydnone. Following Lipinski's Rule of Five, 3-(Carboxyphenyl)sydnone 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 3-(Carboxyphenyl)sydnone?
The CAS number of 3-(Carboxyphenyl)sydnone is 26537-65-5.
What is the molecular formula of 3-(Carboxyphenyl)sydnone?
The molecular formula of 3-(Carboxyphenyl)sydnone is C9H6N2O4.
What is the molecular weight of 3-(Carboxyphenyl)sydnone?
The molecular weight of 3-(Carboxyphenyl)sydnone is 206.03 g/mol.
Where can I buy 3-(Carboxyphenyl)sydnone?
You can request a quote for 3-(Carboxyphenyl)sydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Carboxyphenyl)sydnone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxyphenyl)sydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.