3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate
TL;DR: 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS 26537-53-1) is a chemical compound with molecular formula C4H4N2O4 and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethyl)oxadiazol-3-ium-5-olate
Also Known As: 3- sydnone, 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate, 3-carboxymethylsydnone, 3-(Carboxymethyl)sydnone, Sydnone, 3-(carboxymethyl)-
| Molecular Formula | C4H4N2O4 |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.0171 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 26537-53-1 |
|---|---|
| SMILES | C1=C(ON=[N+]1CC(=O)O)[O-] |
| InChIKey | XHYMGVYSSVQNHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS 26537-53-1), with molecular formula C4H4N2O4 and molecular weight 144.02 g/mol. IUPAC: 3-(carboxymethyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate
Property Insights of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate. Following Lipinski's Rule of Five, 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate 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-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate?
The CAS number of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate is 26537-53-1.
What is the molecular formula of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate?
The molecular formula of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate is C4H4N2O4.
What is the molecular weight of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate?
The molecular weight of 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate is 144.02 g/mol.
Where can I buy 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate?
You can request a quote for 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxymethyl)-1,2,3-oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.