6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate
TL;DR: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate (CAS 896304-18-0) is a chemical compound with molecular formula C17H11F2NO4S2 and molecular weight 395.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,4-difluorobenzoate
Also Known As: F2566-0064, [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,4-difluorobenzoate, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate, 6-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate
| Molecular Formula | C17H11F2NO4S2 |
|---|---|
| Molecular Weight | 395.01 g/mol |
| LogP | 4.19442 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.00977 |
| Heavy Atoms | 26 |
| Complexity | 1015.9926 |
Chemical Identifiers
| CAS Number | 896304-18-0 |
|---|---|
| SMILES | CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=C(C=C3)F)F |
Product Overview
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate (CAS 896304-18-0), with molecular formula C17H11F2NO4S2 and molecular weight 395.01 g/mol. IUPAC: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,4-difluorobenzoate.
Chemical Property Profile of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate
Property Insights of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate
The XLogP value of 4.19442 indicates that 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate. Following Lipinski's Rule of Five, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate has 0 hydrogen bond donor(s) and 7 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 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate?
The CAS number of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate is 896304-18-0.
What is the molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate?
The molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate is C17H11F2NO4S2.
What is the molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate?
The molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate is 395.01 g/mol.
Where can I buy 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate?
You can request a quote for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,4-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.