Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
TL;DR: Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate (CAS 441744-49-6) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
Also Known As: ChemDiv3_002769, ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate, AL-281/40739600, ethyl 4-((6-methyl-2-(methylthio)pyrimidin-4-yl)oxy)benzoate, BRD-K41355837-001-01-1
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 441744-49-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C)SC |
| InChIKey | UDCBVEFQXIQEFY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate (CAS 441744-49-6), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate.
Chemical Property Profile of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
Property Insights of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
The XLogP value of 3.5 indicates that Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate has 0 hydrogen bond donor(s) and 6 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 Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The CAS number of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is 441744-49-6.
What is the molecular formula of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The molecular formula of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is C15H16N2O3S.
What is the molecular weight of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The molecular weight of Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is 304.09 g/mol.
Where can I buy Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
You can request a quote for Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.