5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester (CAS 5909-25-1) is a chemical compound with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
Also Known As: ethyl 2,4-bis(methylthio)pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester, ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate, RefChem:304846
| Molecular Formula | C9H12N2O2S2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.03403 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5909-25-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1SC)SC |
| InChIKey | RSEYGTDJDNSHGG-UHFFFAOYSA-N |
Product Overview
5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester (CAS 5909-25-1), with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol. IUPAC: ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate.
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester has 0 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, 2,4-bis(methylthio)-, ethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester is 5909-25-1.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester is C9H12N2O2S2.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester is 244.03 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 2,4-bis(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, 2,4-bis(methylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 2,4-bis(methylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.