4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester
TL;DR: 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester (CAS 116218-75-8) is a chemical compound with molecular formula C11H17N3O2S and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-butylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-butylsulfanylpyrimidine-5-carboxylate, 4-amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester, BAS 02748755, ethyl 4-amino-2-butylthiopyrimidine-5-carboxylate, 2-((4-Aminobutyl)thio)ethyl pyrimidine-5-carboxylate
| Molecular Formula | C11H17N3O2S |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.1277 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.10414 |
| Heavy Atoms | 17 |
| Complexity | 384.97934 |
Chemical Identifiers
| CAS Number | 116218-75-8 |
|---|---|
| SMILES | CCCCSC1=NC=C(C(=N1)N)C(=O)OCC |
Product Overview
4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester (CAS 116218-75-8), with molecular formula C11H17N3O2S and molecular weight 255.10 g/mol. IUPAC: ethyl 4-amino-2-butylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester
Property Insights of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester
The XLogP value of 2.1277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid 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 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester?
The CAS number of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester is 116218-75-8.
What is the molecular formula of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester?
The molecular formula of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester is C11H17N3O2S.
What is the molecular weight of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester?
The molecular weight of 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester is 255.10 g/mol.
Where can I buy 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester?
You can request a quote for 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester 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-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.