![2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate structure](/static/products/6805/680580-16-9.webp)
2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate
TL;DR: 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate (CAS 680580-16-9) is a chemical compound with molecular formula C17H11F2NO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2,4-difluorophenyl)furan-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
Also Known As: 2-({2-[5-(2,4-difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate, 2-((2-(5-(2,4-Difluorophenyl)furan-2-yl)-2-oxoethyl)thio)pyridine 1-oxide, 1-[5-(2,4-difluorophenyl)furan-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone, 2-({2-[5-(2,4-difluorophenyl)furan-2-yl]-2-oxoethyl}sulfanyl)pyridin-1-ium-1-olate
| Molecular Formula | C17H11F2NO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 3.8332 |
| Topological Polar Surface Area | 57.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.0428 |
| Heavy Atoms | 24 |
| Complexity | 895.0471 |
Chemical Identifiers
| CAS Number | 680580-16-9 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SCC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)F)F)[O-] |
Product Overview
2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate (CAS 680580-16-9), with molecular formula C17H11F2NO3S and molecular weight 347.04 g/mol. IUPAC: 1-[5-(2,4-difluorophenyl)furan-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone.
Chemical Property Profile of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate
Property Insights of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate
The XLogP value of 3.8332 indicates that 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.15 Ų, 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate 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 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate?
The CAS number of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate is 680580-16-9.
What is the molecular formula of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate?
The molecular formula of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate is C17H11F2NO3S.
What is the molecular weight of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate?
The molecular weight of 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate is 347.04 g/mol.
Where can I buy 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate?
You can request a quote for 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[5-(2,4-Difluorophenyl)-2-furyl]-2-oxoethyl}thio)pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.