4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid
TL;DR: 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid (CAS 89853-87-2) is a chemical compound with molecular formula C7H9N3O2S and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid
Also Known As: 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid, 4-Amino-5-carboxy-2-ethylmercaptopyrimidine, 4-Amino-2-ethylthiopyrimidine-5-carboxylic acid, 4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, 4-amino-2-(ethylthio)-
| Molecular Formula | C7H9N3O2S |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04155 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 89853-87-2 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)N)C(=O)O |
| InChIKey | TYAKXNHFMATCHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid (CAS 89853-87-2), with molecular formula C7H9N3O2S and molecular weight 199.04 g/mol. IUPAC: 4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid
Property Insights of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid has 2 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 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid?
The CAS number of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid is 89853-87-2.
What is the molecular formula of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid?
The molecular formula of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid is C7H9N3O2S.
What is the molecular weight of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid?
The molecular weight of 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid is 199.04 g/mol.
Where can I buy 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid?
You can request a quote for 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.