6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate
TL;DR: 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate (CAS 877637-85-9) is a chemical compound with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate
Also Known As: 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate, [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate, 6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl furan-2-carboxylate, REGID_for_CID_7218011
| Molecular Formula | C16H12N2O5S |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 2.84272 |
| Topological Polar Surface Area | 95.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0467 |
| Heavy Atoms | 24 |
| Complexity | 904.8362 |
Chemical Identifiers
| CAS Number | 877637-85-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CO3 |
Product Overview
6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate (CAS 877637-85-9), with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol. IUPAC: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate.
Chemical Property Profile of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate
Property Insights of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate
The XLogP value of 2.84272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate. The TPSA of 95.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate. Following Lipinski's Rule of Five, 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate 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-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate?
The CAS number of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate is 877637-85-9.
What is the molecular formula of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate?
The molecular formula of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate is C16H12N2O5S.
What is the molecular weight of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate?
The molecular weight of 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate is 344.05 g/mol.
Where can I buy 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate?
You can request a quote for 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.