![Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate structure](/static/products/139/1393594-19-8.webp)
Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate
TL;DR: Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate (CAS 1393594-19-8) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzoate
Also Known As: methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate
Technical Specifications
| Molecular Formula | C14H14N2O2S |
| Molecular Weight | 274.0776 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0776 Da |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
| SMILES | CC1=CC(=NC=N1)SCC2=CC=C(C=C2)C(=O)OC |
| InChIKey | PAQZOXUDLHEVCE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate
Property Insights of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate?
The CAS number of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate is 1393594-19-8.
What is the molecular formula of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate?
The molecular formula of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate is C14H14N2O2S.
What is the molecular weight of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate?
The molecular weight of Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate is 274.0776 g/mol.
Where can I buy Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate?
You can request a quote for Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.