6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate
TL;DR: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate (CAS 896302-68-4) is a chemical compound with molecular formula C19H17NO5S2 and molecular weight 403.05 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] 2-ethoxybenzoate
Also Known As: F2566-0041, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate, [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-ethoxybenzoate, 6-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate
| Molecular Formula | C19H17NO5S2 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.31492 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0548 |
| Heavy Atoms | 27 |
| Complexity | 995.51514 |
Chemical Identifiers
| CAS Number | 896302-68-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C |
Product Overview
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate (CAS 896302-68-4), with molecular formula C19H17NO5S2 and molecular weight 403.05 g/mol. IUPAC: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-ethoxybenzoate.
Chemical Property Profile of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate
Property Insights of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate
The XLogP value of 4.31492 indicates that 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 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 2-ethoxybenzoate. Following Lipinski's Rule of Five, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 8 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 2-ethoxybenzoate?
The CAS number of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate is 896302-68-4.
What is the molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate?
The molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate is C19H17NO5S2.
What is the molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate?
The molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate is 403.05 g/mol.
Where can I buy 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate?
You can request a quote for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate 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 2-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.