![2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid structure](/static/products/1055/105522-64-3.webp)
2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid
TL;DR: 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid (CAS 105522-64-3) is a chemical compound with molecular formula C16H16N4O5S and molecular weight 376.08 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-phenoxyethyl)purin-8-yl]sulfanylacetic acid
Also Known As: VU0608001-1, 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid, F3260-0944, 2-((3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, 2-{[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
| Molecular Formula | C16H16N4O5S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 0.679 |
| Topological Polar Surface Area | 119.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.08414 |
| Heavy Atoms | 26 |
| Complexity | 1054.1727 |
Chemical Identifiers
| CAS Number | 105522-64-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CCOC3=CC=CC=C3 |
Product Overview
2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid (CAS 105522-64-3), with molecular formula C16H16N4O5S and molecular weight 376.08 g/mol. IUPAC: 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic acid.
Chemical Property Profile of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid
Property Insights of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid
The XLogP value of 0.679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid. The TPSA of 119.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid. Following Lipinski's Rule of Five, 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-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-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid?
The CAS number of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid is 105522-64-3.
What is the molecular formula of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid?
The molecular formula of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid is C16H16N4O5S.
What is the molecular weight of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid?
The molecular weight of 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid is 376.08 g/mol.
Where can I buy 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid?
You can request a quote for 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-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-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.