[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate
TL;DR: [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate (CAS 877635-50-2) is a chemical compound with molecular formula C19H16N2O5S and molecular weight 384.08 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] 4-methoxybenzoate
Also Known As: F2510-0029, [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate, 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methoxybenzoate, 6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 4-methoxybenzoate
| Molecular Formula | C19H16N2O5S |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 3.25832 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.078 |
| Heavy Atoms | 27 |
| Complexity | 1001.4819 |
Chemical Identifiers
| CAS Number | 877635-50-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)OC |
Product Overview
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate (CAS 877635-50-2), with molecular formula C19H16N2O5S and molecular weight 384.08 g/mol. IUPAC: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate.
Chemical Property Profile of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate
Property Insights of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate
The XLogP value of 3.25832 indicates that [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate. Following Lipinski's Rule of Five, [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate 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)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate?
The CAS number of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate is 877635-50-2.
What is the molecular formula of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate?
The molecular formula of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate is C19H16N2O5S.
What is the molecular weight of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate?
The molecular weight of [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate is 384.08 g/mol.
Where can I buy [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate?
You can request a quote for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate 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] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.