![Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate structure](/static/products/849/849924-94-3.png)
Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate
TL;DR: Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate (CAS 849924-94-3) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxy]acetate
Also Known As: Peakdale1_001606, Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate, METHYL {[2-(4,6-DIMETHOXYPYRIMIDIN-2-YL)-1-BENZOTHIEN-3-YL]OXY}-ACETATE, methyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxy]acetate, methyl 2-{[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxy}acetate
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.9273 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 886.93964 |
Chemical Identifiers
| CAS Number | 849924-94-3 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC(=O)OC)OC |
Product Overview
Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate (CAS 849924-94-3), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: methyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxy]acetate.
Chemical Property Profile of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate
Property Insights of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate
The XLogP value of 2.9273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate. Following Lipinski's Rule of Five, Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate 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 Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate?
The CAS number of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate is 849924-94-3.
What is the molecular formula of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate?
The molecular formula of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate is C17H16N2O5S.
What is the molecular weight of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate?
The molecular weight of Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate is 360.08 g/mol.
Where can I buy Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate?
You can request a quote for Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[2-(4,6-dimethoxypyrimidine-2-yl)-1-benzothien-3-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.