4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-
TL;DR: 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- (CAS 61727-07-9) is a chemical compound with molecular formula C12H10N2O2S2 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-phenylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-, 2-Methylthio-5-phenylthiopyrimidine-4-carboxylic acid, 5-25-07-00007 (Beilstein Handbook Reference), 2-methylsulfanyl-5-phenylsulfanylpyrimidine-4-carboxylic acid, AE-641/02563018
| Molecular Formula | C12H10N2O2S2 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 3.0479 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.01837 |
| Heavy Atoms | 18 |
| Complexity | 561.2588 |
Chemical Identifiers
| CAS Number | 61727-07-9 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=CC=C2 |
Product Overview
4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- (CAS 61727-07-9), with molecular formula C12H10N2O2S2 and molecular weight 278.02 g/mol. IUPAC: 2-methylsulfanyl-5-phenylsulfanylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-
Property Insights of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-
The XLogP value of 3.0479 indicates that 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-. Following Lipinski's Rule of Five, 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- has 1 hydrogen bond donor(s) and 5 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-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-?
The CAS number of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- is 61727-07-9.
What is the molecular formula of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-?
The molecular formula of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- is C12H10N2O2S2.
What is the molecular weight of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-?
The molecular weight of 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- is 278.02 g/mol.
Where can I buy 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-?
You can request a quote for 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinecarboxylic acid, 2-(methylthio)-5-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.