2-(Carboxymethylthio)-5-phenylpyrimidine
TL;DR: 2-(Carboxymethylthio)-5-phenylpyrimidine (CAS 58668-17-0) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: 2-(carboxymethylthio)-5-phenylpyrimidine, 2-((5-Phenylpyrimidin-2-yl)thio)acetic acid, 2-(5-phenylpyrimidin-2-yl)sulfanylacetic Acid, [(5-phenyl-2-pyrimidinyl)thio]acetic acid, 2-[(5-phenylpyrimidin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.3203 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 499.6739 |
Chemical Identifiers
| CAS Number | 58668-17-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)O |
Product Overview
2-(Carboxymethylthio)-5-phenylpyrimidine (CAS 58668-17-0), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(Carboxymethylthio)-5-phenylpyrimidine
Property Insights of 2-(Carboxymethylthio)-5-phenylpyrimidine
The XLogP value of 2.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carboxymethylthio)-5-phenylpyrimidine. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carboxymethylthio)-5-phenylpyrimidine. Following Lipinski's Rule of Five, 2-(Carboxymethylthio)-5-phenylpyrimidine has 1 hydrogen bond donor(s) and 4 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 2-(Carboxymethylthio)-5-phenylpyrimidine?
The CAS number of 2-(Carboxymethylthio)-5-phenylpyrimidine is 58668-17-0.
What is the molecular formula of 2-(Carboxymethylthio)-5-phenylpyrimidine?
The molecular formula of 2-(Carboxymethylthio)-5-phenylpyrimidine is C12H10N2O2S.
What is the molecular weight of 2-(Carboxymethylthio)-5-phenylpyrimidine?
The molecular weight of 2-(Carboxymethylthio)-5-phenylpyrimidine is 246.05 g/mol.
Where can I buy 2-(Carboxymethylthio)-5-phenylpyrimidine?
You can request a quote for 2-(Carboxymethylthio)-5-phenylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Carboxymethylthio)-5-phenylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carboxymethylthio)-5-phenylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.