6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate
TL;DR: 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate (CAS 896304-59-9) is a chemical compound with molecular formula C17H12N2O6S2 and molecular weight 404.01 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] 2-nitrobenzoate
Also Known As: F2566-0070, 6-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2-nitrobenzoate, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate, [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-nitrobenzoate
| Molecular Formula | C17H12N2O6S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 3.82442 |
| Topological Polar Surface Area | 112.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.01367 |
| Heavy Atoms | 27 |
| Complexity | 1059.3273 |
Chemical Identifiers
| CAS Number | 896304-59-9 |
|---|---|
| SMILES | CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate (CAS 896304-59-9), with molecular formula C17H12N2O6S2 and molecular weight 404.01 g/mol. IUPAC: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-nitrobenzoate.
Chemical Property Profile of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate
Property Insights of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate
The XLogP value of 3.82442 indicates that 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.54 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-nitrobenzoate. Following Lipinski's Rule of Five, 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 9 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-nitrobenzoate?
The CAS number of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate is 896304-59-9.
What is the molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate?
The molecular formula of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate is C17H12N2O6S2.
What is the molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate?
The molecular weight of 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate is 404.01 g/mol.
Where can I buy 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate?
You can request a quote for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate 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-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.