N,N'-Dipropyl-4,4'-bipyridinium sulfonate
TL;DR: N,N'-Dipropyl-4,4'-bipyridinium sulfonate (CAS 77951-49-6) is a chemical compound with molecular formula C16H20N2O6S2 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
Also Known As: Pvs-4,4', N,N'-Dipropyl-4,4'-bipyridinium sulfonate, n,n'-bis(3-sulfonatopropyl)-4,4'-bipyridinium, 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate, 1,1 -Bis(3-sulfonatopropyl)-4,4 -bipyridinium
| Molecular Formula | C16H20N2O6S2 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.0763 |
| Heavy Atoms | 26 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 77951-49-6 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-] |
| InChIKey | AHTBJQLOYQLXMD-UHFFFAOYSA-N |
Product Overview
N,N'-Dipropyl-4,4'-bipyridinium sulfonate (CAS 77951-49-6), with molecular formula C16H20N2O6S2 and molecular weight 400.08 g/mol. IUPAC: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of N,N'-Dipropyl-4,4'-bipyridinium sulfonate
Property Insights of N,N'-Dipropyl-4,4'-bipyridinium sulfonate
The XLogP value of -0.1 indicates that N,N'-Dipropyl-4,4'-bipyridinium sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Dipropyl-4,4'-bipyridinium sulfonate. Following Lipinski's Rule of Five, N,N'-Dipropyl-4,4'-bipyridinium sulfonate 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 N,N'-Dipropyl-4,4'-bipyridinium sulfonate?
The CAS number of N,N'-Dipropyl-4,4'-bipyridinium sulfonate is 77951-49-6.
What is the molecular formula of N,N'-Dipropyl-4,4'-bipyridinium sulfonate?
The molecular formula of N,N'-Dipropyl-4,4'-bipyridinium sulfonate is C16H20N2O6S2.
What is the molecular weight of N,N'-Dipropyl-4,4'-bipyridinium sulfonate?
The molecular weight of N,N'-Dipropyl-4,4'-bipyridinium sulfonate is 400.08 g/mol.
Where can I buy N,N'-Dipropyl-4,4'-bipyridinium sulfonate?
You can request a quote for N,N'-Dipropyl-4,4'-bipyridinium sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Dipropyl-4,4'-bipyridinium sulfonate?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Dipropyl-4,4'-bipyridinium sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.