4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium
TL;DR: 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium (CAS 63149-06-4) is a chemical compound with molecular formula C15H17NO3S2 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate
Also Known As: 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium, Pyridinium, 4-(phenylthio)-1-(4-sulfobutyl)-, inner salt, 2-(2-methoxyethoxy)ethyl 2-phenylacetate, 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate, Pyridinium, 4-(phenylthio)-1-(4-sulfobutyl)-, hydroxide, inner salt
| Molecular Formula | C15H17NO3S2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.06497 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 63149-06-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-] |
| InChIKey | QZNKYTVDANPFQE-UHFFFAOYSA-N |
Product Overview
4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium (CAS 63149-06-4), with molecular formula C15H17NO3S2 and molecular weight 323.06 g/mol. IUPAC: 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate.
Chemical Property Profile of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium
Property Insights of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium. Following Lipinski's Rule of Five, 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium has 0 hydrogen bond donor(s) and 4 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 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium?
The CAS number of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium is 63149-06-4.
What is the molecular formula of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium?
The molecular formula of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium is C15H17NO3S2.
What is the molecular weight of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium?
The molecular weight of 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium is 323.06 g/mol.
Where can I buy 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium?
You can request a quote for 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.