6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate
TL;DR: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate (CAS 896302-16-2) is a chemical compound with molecular formula C18H15NO4S2 and molecular weight 373.04 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] 4-methylbenzoate
Also Known As: F2566-0034, 6-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 4-methylbenzoate, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate, [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methylbenzoate
| Molecular Formula | C18H15NO4S2 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 4.22464 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.04425 |
| Heavy Atoms | 25 |
| Complexity | 944.20996 |
Chemical Identifiers
| CAS Number | 896302-16-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C |
Product Overview
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate (CAS 896302-16-2), with molecular formula C18H15NO4S2 and molecular weight 373.04 g/mol. IUPAC: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methylbenzoate.
Chemical Property Profile of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate
Property Insights of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate
The XLogP value of 4.22464 indicates that 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate 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 4-methylbenzoate. Following Lipinski's Rule of Five, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate 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 4-methylbenzoate?
The CAS number of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate is 896302-16-2.
What is the molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate?
The molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate is C18H15NO4S2.
What is the molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate?
The molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate is 373.04 g/mol.
Where can I buy 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate?
You can request a quote for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate 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 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.