acetate structure](/static/products/461/461431-31-2.png)
Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate
TL;DR: Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate (CAS 461431-31-2) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetate
Also Known As: ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate, ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetate
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 3.48994 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 596.67896 |
Chemical Identifiers
| CAS Number | 461431-31-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C |
Product Overview
Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate (CAS 461431-31-2), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetate.
Chemical Property Profile of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate
Property Insights of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate
The XLogP value of 3.48994 indicates that Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate 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
Frequently Asked Questions
What is the CAS number of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate?
The CAS number of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate is 461431-31-2.
What is the molecular formula of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate?
The molecular formula of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate is C16H18N2O2S.
What is the molecular weight of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate?
The molecular weight of Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate is 302.11 g/mol.
Where can I buy Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate?
You can request a quote for Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate 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-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.