![(1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate structure](/static/products/111/1111457-92-1.png)
(1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
TL;DR: (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 1111457-92-1) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzoxazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
Also Known As: (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate, 1,3-benzoxazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.63254 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 851.4677 |
Chemical Identifiers
| CAS Number | 1111457-92-1 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NC3=CC=CC=C3O2 |
Product Overview
(1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 1111457-92-1), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: 1,3-benzoxazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate.
Chemical Property Profile of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
Property Insights of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
The XLogP value of 3.63254 indicates that (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate. Following Lipinski's Rule of Five, (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate 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 (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The CAS number of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 1111457-92-1.
What is the molecular formula of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular formula of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is C18H19N3O3S.
What is the molecular weight of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular weight of (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 357.11 g/mol.
Where can I buy (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
You can request a quote for (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-benzoxazol-2-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.