![3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate structure](/static/products/1310/131032-72-9.webp)
3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate
TL;DR: 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate (CAS 131032-72-9) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
Also Known As: J1.392.324H, J3.335.178J, 3-(4-[ -2-[4- PROPANE-1-SULFONATE, AN-967/25120040, A3713/0157258
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 2.1458 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 780.0185 |
Chemical Identifiers
| CAS Number | 131032-72-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-] |
Product Overview
3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate (CAS 131032-72-9), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: 3-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate
Property Insights of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate
The XLogP value of 2.1458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate. Following Lipinski's Rule of Five, 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate 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 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate?
The CAS number of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate is 131032-72-9.
What is the molecular formula of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate?
The molecular formula of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate is C18H22N2O3S.
What is the molecular weight of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate?
The molecular weight of 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate is 346.14 g/mol.
Where can I buy 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate?
You can request a quote for 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)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-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-{2-[4-(Dimethylamino)phenyl]vinyl}pyridinium-1-yl)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.