Hexamethylenebissydnone
TL;DR: Hexamethylenebissydnone (CAS 6951-23-1) is a chemical compound with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(5-oxidooxadiazol-3-ium-3-yl)hexyl]oxadiazol-3-ium-5-olate
Also Known As: Hexamethylenebissydnone, 3,3'-Hexandiyl-bis-sydnon, Sydnone,3'-hexamethylenedi-, 3,3'-Hexamethylenebis(sydnone), Sydnone, 3,3'-hexamethylenedi-
| Molecular Formula | C10H14N4O4 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.1015 |
| Heavy Atoms | 18 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6951-23-1 |
|---|---|
| SMILES | C1=C(ON=[N+]1CCCCCC[N+]2=NOC(=C2)[O-])[O-] |
| InChIKey | COUXKAGTXQOCAQ-UHFFFAOYSA-N |
Product Overview
Hexamethylenebissydnone (CAS 6951-23-1), with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol. IUPAC: 3-[6-(5-oxidooxadiazol-3-ium-3-yl)hexyl]oxadiazol-3-ium-5-olate.
Chemical Property Profile of Hexamethylenebissydnone
Property Insights of Hexamethylenebissydnone
The XLogP value of 3.4 indicates that Hexamethylenebissydnone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexamethylenebissydnone. Following Lipinski's Rule of Five, Hexamethylenebissydnone has 0 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 Hexamethylenebissydnone?
The CAS number of Hexamethylenebissydnone is 6951-23-1.
What is the molecular formula of Hexamethylenebissydnone?
The molecular formula of Hexamethylenebissydnone is C10H14N4O4.
What is the molecular weight of Hexamethylenebissydnone?
The molecular weight of Hexamethylenebissydnone is 254.10 g/mol.
Where can I buy Hexamethylenebissydnone?
You can request a quote for Hexamethylenebissydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylenebissydnone?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylenebissydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.