2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid
TL;DR: 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid (CAS 107608-57-1) is a chemical compound with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetic acid
Also Known As: 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid, {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid, 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, {[6-hydroxy-3-methyl-2-oxo-7-(2-phenylethyl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetic acid, 2-{[3-METHYL-2,6-DIOXO-7-(2-PHENYLETHYL)-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETIC ACID
| Molecular Formula | C16H16N4O4S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.08923 |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 107608-57-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CCC3=CC=CC=C3 |
| InChIKey | CBEAHRIXZQTTPK-UHFFFAOYSA-N |
Product Overview
2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid (CAS 107608-57-1), with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol. IUPAC: 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetic acid.
Chemical Property Profile of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid
Property Insights of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid. Following Lipinski's Rule of Five, 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic 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-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid?
The CAS number of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid is 107608-57-1.
What is the molecular formula of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid?
The molecular formula of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid is C16H16N4O4S.
What is the molecular weight of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid?
The molecular weight of 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid is 360.09 g/mol.
Where can I buy 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid?
You can request a quote for 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.