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Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate
TL;DR: Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate (CAS 724779-57-1) is a chemical compound with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidine-5-carboxylate
Also Known As: BAS 07100392, UPCMLD0ENAT5787042:001, methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate, ethyl 4-amino-2-((2-methoxy-2-oxoethyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidine-5-carboxylate
| Molecular Formula | C10H13N3O4S |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.5006 |
| Topological Polar Surface Area | 104.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.06268 |
| Heavy Atoms | 18 |
| Complexity | 452.74896 |
Chemical Identifiers
| CAS Number | 724779-57-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OC |
Product Overview
Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate (CAS 724779-57-1), with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol. IUPAC: ethyl 4-amino-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate
Property Insights of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate
The XLogP value of 0.5006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate. The TPSA of 104.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate has 1 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 Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate?
The CAS number of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate is 724779-57-1.
What is the molecular formula of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate?
The molecular formula of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate is C10H13N3O4S.
What is the molecular weight of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate?
The molecular weight of Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate is 271.06 g/mol.
Where can I buy Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate?
You can request a quote for Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.