![Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate structure](/static/products/689/68905-42-0.png)
Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
TL;DR: Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate (CAS 68905-42-0) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
Also Known As: CBKinase1_001423, CBKinase1_013823, BAS 01321807, ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate, AE-848/32058046
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 68905-42-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)C)N |
| InChIKey | PZQODSJREVUUEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate (CAS 68905-42-0), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
Property Insights of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(2-amino-6-methyl-4-pyrimidinyl)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 Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate?
The CAS number of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate is 68905-42-0.
What is the molecular formula of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate?
The molecular formula of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate is C9H13N3O2S.
What is the molecular weight of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate?
The molecular weight of Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate is 227.07 g/mol.
Where can I buy Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate?
You can request a quote for Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.