3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)
TL;DR: 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) (CAS 1103968-20-2) is a chemical compound with molecular formula C18H20N4O7S2 and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]-1,3,4-oxadiazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
Also Known As: 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate), 3-[4-[5-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]-1,3,4-oxadiazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
| Molecular Formula | C18H20N4O7S2 |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | -0.1508 |
| Topological Polar Surface Area | 161.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.07733 |
| Heavy Atoms | 31 |
| Complexity | 1126.6725 |
Chemical Identifiers
| CAS Number | 1103968-20-2 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C2=NN=C(O2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-] |
Product Overview
3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) (CAS 1103968-20-2), with molecular formula C18H20N4O7S2 and molecular weight 468.08 g/mol. IUPAC: 3-[4-[5-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]-1,3,4-oxadiazol-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)
Property Insights of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)
The XLogP value of -0.1508 indicates that 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.08 Ų indicates high polarity, suggesting 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) has 0 hydrogen bond donor(s) and 9 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 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)?
The CAS number of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) is 1103968-20-2.
What is the molecular formula of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)?
The molecular formula of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) is C18H20N4O7S2.
What is the molecular weight of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)?
The molecular weight of 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) is 468.08 g/mol.
Where can I buy 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)?
You can request a quote for 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(pyridine-1-ium-4,1-diyl))bis(propane-1-sulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.