![2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate structure](/static/products/111/111260-18-5.png)
2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate
TL;DR: 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate (CAS 111260-18-5) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate
Also Known As: 2-[1-(2-hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate, 2-[1-(2-hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulphonate, (E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate, 1-(2-hydroxyethyl)-4-(1-phenyl-3-sulfonatoprop-1-en-2-yl)pyridin-1-ium
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 1.0522 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 737.4751 |
Chemical Identifiers
| CAS Number | 111260-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/CS(=O)(=O)[O-])\C2=CC=[N+](C=C2)CCO |
Product Overview
2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate (CAS 111260-18-5), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: (E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate.
Chemical Property Profile of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate
Property Insights of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate
The XLogP value of 1.0522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate. Following Lipinski's Rule of Five, 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate has 1 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 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate?
The CAS number of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate is 111260-18-5.
What is the molecular formula of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate?
The molecular formula of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate is C16H17NO4S.
What is the molecular weight of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate?
The molecular weight of 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate is 319.09 g/mol.
Where can I buy 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate?
You can request a quote for 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2-Hydroxyethyl)pyridinium-4-yl]-3-phenylprop-2-ene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.