Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate
TL;DR: Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate (CAS 312597-83-4) is a chemical compound with molecular formula C10H12BrN3O3S and molecular weight 332.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-acetamido-5-bromo-6-methylpyrimidin-4-yl)sulfanylacetate
Also Known As: BAS 02789161, BIM-0013876.P001, AB00100408-01, methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate, methyl {[2-(acetylamino)-5-bromo-6-methylpyrimidin-4-yl]sulfanyl}acetate
| Molecular Formula | C10H12BrN3O3S |
|---|---|
| Molecular Weight | 332.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.97827 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 312597-83-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)NC(=O)C)SCC(=O)OC)Br |
| InChIKey | YBYAJDXREBXVDK-UHFFFAOYSA-N |
Product Overview
Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate (CAS 312597-83-4), with molecular formula C10H12BrN3O3S and molecular weight 332.98 g/mol. IUPAC: methyl 2-(2-acetamido-5-bromo-6-methylpyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate
Property Insights of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate has 1 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 Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate?
The CAS number of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate is 312597-83-4.
What is the molecular formula of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate?
The molecular formula of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate is C10H12BrN3O3S.
What is the molecular weight of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate?
The molecular weight of Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate is 332.98 g/mol.
Where can I buy Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate?
You can request a quote for Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)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-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((2-acetamido-5-bromo-6-methylpyrimidin-4-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.