![Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate structure](/static/products/6669/6669-64-3.webp)
Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate
TL;DR: Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate (CAS 6669-64-3) is a chemical compound with molecular formula C18H20NO4S+ and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate
Also Known As: ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate, Ethyl 4-[6-(benzenesulfonylmethyl)pyridin-1-yl]but-2-enoate, 2-[(BENZENESULFONYL)METHYL]-1-(4-ETHOXY-4-OXOBUT-2-EN-1-YL)PYRIDIN-1-IUM
| Molecular Formula | C18H20NO4S+ |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.0673 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1113 |
| Heavy Atoms | 24 |
| Complexity | 813.92224 |
Chemical Identifiers
| CAS Number | 6669-64-3 |
|---|---|
| SMILES | CCOC(=O)C=CC[N+]1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate (CAS 6669-64-3), with molecular formula C18H20NO4S+ and molecular weight 346.11 g/mol. IUPAC: ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate.
Chemical Property Profile of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate
Property Insights of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate
The XLogP value of 2.0673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate 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 Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate?
The CAS number of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate is 6669-64-3.
What is the molecular formula of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate?
The molecular formula of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate is C18H20NO4S+.
What is the molecular weight of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate?
The molecular weight of Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate is 346.11 g/mol.
Where can I buy Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate?
You can request a quote for Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(benzenesulfonylmethyl)pyridin-1-ium-1-yl]but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.