6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate
TL;DR: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate (CAS 896302-08-2) is a chemical compound with molecular formula C17H13NO4S2 and molecular weight 359.03 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] benzoate
Also Known As: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate, 6-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl benzoate, F2566-0031, [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
| Molecular Formula | C17H13NO4S2 |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | 3.91622 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0286 |
| Heavy Atoms | 24 |
| Complexity | 902.2089 |
Chemical Identifiers
| CAS Number | 896302-08-2 |
|---|---|
| SMILES | CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3 |
Product Overview
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate (CAS 896302-08-2), with molecular formula C17H13NO4S2 and molecular weight 359.03 g/mol. IUPAC: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate.
Chemical Property Profile of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate
Property Insights of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate
The XLogP value of 3.91622 indicates that 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate 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 benzoate. Following Lipinski's Rule of Five, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate 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 benzoate?
The CAS number of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate is 896302-08-2.
What is the molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate?
The molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate is C17H13NO4S2.
What is the molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate?
The molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate is 359.03 g/mol.
Where can I buy 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate?
You can request a quote for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.