(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
TL;DR: (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester (CAS 54820-01-8) is a chemical compound with molecular formula C10H14N2O2S and molecular weight 226.08 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)sulfanylacetate
Also Known As: (4,6-dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester, ethyl [(4,6-dimethyl-2-pyrimidinyl)thio]acetate, ethyl 2-(4,6-dimethylpyrimidin-2-ylthio)acetate, ethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate, ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
| Molecular Formula | C10H14N2O2S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 1.74864 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.0776 |
| Heavy Atoms | 15 |
| Complexity | 335.02567 |
Chemical Identifiers
| CAS Number | 54820-01-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=CC(=N1)C)C |
Product Overview
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester (CAS 54820-01-8), with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol. IUPAC: ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate.
Chemical Property Profile of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
Property Insights of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
The XLogP value of 1.74864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester. With a topological polar surface area (TPSA) of 52.08 Ų, (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester 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 (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester?
The CAS number of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester is 54820-01-8.
What is the molecular formula of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester?
The molecular formula of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester is C10H14N2O2S.
What is the molecular weight of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester?
The molecular weight of (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester is 226.08 g/mol.
Where can I buy (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester?
You can request a quote for (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.