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Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate
TL;DR: Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate (CAS 478031-55-9) is a chemical compound with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate
Also Known As: ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate, Ethyl 2-((6-((methylsulfonyl)methyl)-2-(2-pyridinyl)-4-pyrimidinyl)sulfanyl)acetate, ethyl 2-{[6-[(methylsulfonyl)methyl]-2-(2-pyridinyl)-4-pyrimidinyl]sulfanyl}acetate, ethyl 2-{[6-(methanesulfonylmethyl)-2-(pyridin-2-yl)pyrimidin-4-yl]sulfanyl}acetate, 2-[[6-(mesylmethyl)-2-(2-pyridyl)pyrimidin-4-yl]thio]acetic acid ethyl ester
| Molecular Formula | C15H17N3O4S2 |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 1.7384 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.06604 |
| Heavy Atoms | 24 |
| Complexity | 810.7238 |
Chemical Identifiers
| CAS Number | 478031-55-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C)C2=CC=CC=N2 |
Product Overview
Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate (CAS 478031-55-9), with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol. IUPAC: ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate
Property Insights of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate
The XLogP value of 1.7384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate. The TPSA of 99.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate 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 Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate?
The CAS number of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate is 478031-55-9.
What is the molecular formula of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate is C15H17N3O4S2.
What is the molecular weight of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate is 367.07 g/mol.
Where can I buy Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.