![[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate structure](/static/products/877/877635-23-9.png)
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
TL;DR: [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate (CAS 877635-23-9) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 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] benzoate
Also Known As: 6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl benzoate, [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate, 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.24972 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 941.06104 |
Chemical Identifiers
| CAS Number | 877635-23-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3 |
Product Overview
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate (CAS 877635-23-9), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate.
Chemical Property Profile of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
Property Insights of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
The XLogP value of 3.24972 indicates that [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate. Following Lipinski's Rule of Five, [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-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-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The CAS number of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is 877635-23-9.
What is the molecular formula of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The molecular formula of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is C18H14N2O4S.
What is the molecular weight of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
The molecular weight of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate is 354.07 g/mol.
Where can I buy [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
You can request a quote for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-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-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.