![Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester structure](/static/products/5406/54069-06-6.webp)
Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
TL;DR: Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester (CAS 54069-06-6) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate
Also Known As: BAS 04054863, methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate, Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester, (6-Methyl-2-methylsulfanyl-pyrimidin-4-yloxy)-acetic acid methyl ester, BRD-K64178852-001-01-9
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 54069-06-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC)OCC(=O)OC |
| InChIKey | JFJRDVCLSIZCQL-UHFFFAOYSA-N |
Product Overview
Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester (CAS 54069-06-6), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate.
Chemical Property Profile of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
Property Insights of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester has 0 hydrogen bond donor(s) and 6 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 Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester?
The CAS number of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester is 54069-06-6.
What is the molecular formula of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester?
The molecular formula of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester is C9H12N2O3S.
What is the molecular weight of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester?
The molecular weight of Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester is 228.06 g/mol.
Where can I buy Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester?
You can request a quote for Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.