4-Benzyl-1-(3-sulphonatopropyl)pyridinium
TL;DR: 4-Benzyl-1-(3-sulphonatopropyl)pyridinium (CAS 93803-28-2) is a chemical compound with molecular formula C15H17NO3S and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate
Also Known As: 4-Benzyl-PPS, EINECS 298-298-2, 4-Benzyl-1-(3-sulphonatopropyl)pyridinium, 3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate, 4-BENZYL-1-(3-SULFONATOPROPYL)PYRIDINIUM
| Molecular Formula | C15H17NO3S |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 1.5002 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.09293 |
| Heavy Atoms | 20 |
| Complexity | 636.5787 |
Chemical Identifiers
| CAS Number | 93803-28-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-] |
Product Overview
4-Benzyl-1-(3-sulphonatopropyl)pyridinium (CAS 93803-28-2), with molecular formula C15H17NO3S and molecular weight 291.09 g/mol. IUPAC: 3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium
Property Insights of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium
The XLogP value of 1.5002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-1-(3-sulphonatopropyl)pyridinium. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-1-(3-sulphonatopropyl)pyridinium. Following Lipinski's Rule of Five, 4-Benzyl-1-(3-sulphonatopropyl)pyridinium has 0 hydrogen bond donor(s) and 3 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-Benzyl-1-(3-sulphonatopropyl)pyridinium?
The CAS number of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium is 93803-28-2.
What is the molecular formula of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium?
The molecular formula of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium is C15H17NO3S.
What is the molecular weight of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium?
The molecular weight of 4-Benzyl-1-(3-sulphonatopropyl)pyridinium is 291.09 g/mol.
Where can I buy 4-Benzyl-1-(3-sulphonatopropyl)pyridinium?
You can request a quote for 4-Benzyl-1-(3-sulphonatopropyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1-(3-sulphonatopropyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(3-sulphonatopropyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.