![3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid structure](/static/products/3473/347341-62-2.webp)
3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid
TL;DR: 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid (CAS 347341-62-2) is a chemical compound with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-carboxyethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylpropanoic acid
Also Known As: ChemDiv2_005054, IDI1_003769, A2467/0104760, 3,3'-[(6-phenylpyrimidine-2,4-diyl)disulfanediyl]dipropanoic acid, 3-[2-(2-carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid
| Molecular Formula | C16H16N2O4S2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.2772 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.05515 |
| Heavy Atoms | 24 |
| Complexity | 672.2285 |
Chemical Identifiers
| CAS Number | 347341-62-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)SCCC(=O)O |
Product Overview
3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid (CAS 347341-62-2), with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol. IUPAC: 3-[2-(2-carboxyethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylpropanoic acid.
Chemical Property Profile of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid
Property Insights of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid
The XLogP value of 3.2772 indicates that 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid. Following Lipinski's Rule of Five, 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic 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 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid?
The CAS number of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid is 347341-62-2.
What is the molecular formula of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid?
The molecular formula of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid is C16H16N2O4S2.
What is the molecular weight of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid?
The molecular weight of 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid is 364.06 g/mol.
Where can I buy 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid?
You can request a quote for 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-Carboxyethylthio)-6-phenylpyrimidin-4-ylthio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.