Sydnone, 3,3'-tetramethylenedi-
TL;DR: Sydnone, 3,3'-tetramethylenedi- (CAS 6951-22-0) is a chemical compound with molecular formula C8H12N4O4+2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one
Also Known As: Sydnone, 3,3'-tetramethylenedi-, NCIStruc1_000348, NCIStruc2_000469, NCI60_004346, 3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one
| Molecular Formula | C8H12N4O4+2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08586 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 6951-22-0 |
|---|---|
| SMILES | C1=[N+](NOC1=O)CCCC[N+]2=CC(=O)ON2 |
| InChIKey | VQGVXYMXWMPEBD-UHFFFAOYSA-P |
Product Overview
Sydnone, 3,3'-tetramethylenedi- (CAS 6951-22-0), with molecular formula C8H12N4O4+2 and molecular weight 228.09 g/mol. IUPAC: 3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one.
Chemical Property Profile of Sydnone, 3,3'-tetramethylenedi-
Property Insights of Sydnone, 3,3'-tetramethylenedi-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone, 3,3'-tetramethylenedi-. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone, 3,3'-tetramethylenedi-. Following Lipinski's Rule of Five, Sydnone, 3,3'-tetramethylenedi- has 2 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 Sydnone, 3,3'-tetramethylenedi-?
The CAS number of Sydnone, 3,3'-tetramethylenedi- is 6951-22-0.
What is the molecular formula of Sydnone, 3,3'-tetramethylenedi-?
The molecular formula of Sydnone, 3,3'-tetramethylenedi- is C8H12N4O4+2.
What is the molecular weight of Sydnone, 3,3'-tetramethylenedi-?
The molecular weight of Sydnone, 3,3'-tetramethylenedi- is 228.09 g/mol.
Where can I buy Sydnone, 3,3'-tetramethylenedi-?
You can request a quote for Sydnone, 3,3'-tetramethylenedi- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 3,3'-tetramethylenedi-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 3,3'-tetramethylenedi- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.