![2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid structure](/static/products/3912/391229-35-9.webp)
2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid
TL;DR: 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid (CAS 391229-35-9) is a chemical compound with molecular formula C21H18N2O4S2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
Also Known As: 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]bis(phenylacetic acid), 2-[(4-{[carboxy(phenyl)methyl]sulfanyl}-6-methylpyrimidin-2-yl)sulfanyl]-2-phenylacetic acid, 2-[2-(carboxy-phenyl-methyl)sulfanyl-6-methyl-pyrimidin-4-yl]sulfanyl-2-phenyl-acetic Acid, 2-[2-(carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid, 2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
| Molecular Formula | C21H18N2O4S2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 4.62102 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.0708 |
| Heavy Atoms | 29 |
| Complexity | 922.32764 |
Chemical Identifiers
| CAS Number | 391229-35-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)SC(C3=CC=CC=C3)C(=O)O |
Product Overview
2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid (CAS 391229-35-9), with molecular formula C21H18N2O4S2 and molecular weight 426.07 g/mol. IUPAC: 2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid.
Chemical Property Profile of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid
Property Insights of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid
The XLogP value of 4.62102 indicates that 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic 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 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic 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 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid?
The CAS number of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid is 391229-35-9.
What is the molecular formula of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid?
The molecular formula of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid is C21H18N2O4S2.
What is the molecular weight of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid?
The molecular weight of 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid is 426.07 g/mol.
Where can I buy 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid?
You can request a quote for 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Carboxyphenylmethylthio)-6-methylpyrimidin-4-ylthio]-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.