S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate
TL;DR: S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate (CAS 328022-64-6) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate
Also Known As: BAS 04280338, S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate, 4,6-dimethylpyrimidin-2-ylthio 4-ethoxyphenyl ketone, S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzothioate, 4-Ethoxy-thiobenzoic acid 4,6-dimethyl-pyrimidin-2-yl ester
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 328022-64-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)SC2=NC(=CC(=N2)C)C |
| InChIKey | VPFDIVSAYSKXLA-UHFFFAOYSA-N |
Product Overview
S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate (CAS 328022-64-6), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate.
Chemical Property Profile of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate
Property Insights of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate
The XLogP value of 3.6 indicates that S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate. Following Lipinski's Rule of Five, S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate 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 S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate?
The CAS number of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate is 328022-64-6.
What is the molecular formula of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate?
The molecular formula of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate is C15H16N2O2S.
What is the molecular weight of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate?
The molecular weight of S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate is 288.09 g/mol.
Where can I buy S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate?
You can request a quote for S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4,6-dimethylpyrimidin-2-yl) 4-ethoxybenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.