5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester (CAS 776-53-4) is a chemical compound with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate, Ethyl 4-amino-2-(methylthio)pyrimidin-5-carboxylate, alpha,beta-Trehalose, ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate, ChemDiv3_014680
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 776-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC |
| InChIKey | QINRQIZOBCQKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester (CAS 776-53-4), with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol. IUPAC: ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester 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 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester is 776-53-4.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester is C8H11N3O2S.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester is 213.06 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.