![methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate structure](/static/products/111/1111477-17-8.webp)
methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate
TL;DR: methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate (CAS 1111477-17-8) is a chemical compound with molecular formula C19H22N2O4S and molecular weight 374.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxymethyl]benzoate
Also Known As: methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate, methyl 3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxymethyl]benzoate
Technical Specifications
| Molecular Formula | C19H22N2O4S |
| Molecular Weight | 374.13004 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.13004 Da |
| Heavy Atoms | 26 |
| Complexity | 464.0 |
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC(=CC=C2)C(=O)OC |
| InChIKey | XWOJMHWSBFNSAA-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate
Property Insights of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate
The XLogP value of 3.3 indicates that methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]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
What is the CAS number of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate?
The CAS number of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate is 1111477-17-8.
What is the molecular formula of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate?
The molecular formula of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate is C19H22N2O4S.
What is the molecular weight of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate?
The molecular weight of methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate is 374.13004 g/mol.
Where can I buy methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate?
You can request a quote for methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 3-[({3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoyl}oxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.