2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
TL;DR: 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid (CAS 114145-24-3) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: 5S-hydroxy-14,15-LTA4, BAS 00162657, 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid, AB00667624-01, AB00667624-02
Technical Specifications
| Molecular Formula | C10H12N4O4S |
| Molecular Weight | 284.05792 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.05792 Da |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
| SMILES | CCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C |
| InChIKey | BHLQHVCNJZANDO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Property Insights of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid. Following Lipinski's Rule of Five, 2-(7-Ethyl-3-methyl-2,6-dioxopurin-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
What is the CAS number of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The CAS number of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is 114145-24-3.
What is the molecular formula of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The molecular formula of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is C10H12N4O4S.
What is the molecular weight of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
The molecular weight of 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid is 284.05792 g/mol.
Where can I buy 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
You can request a quote for 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(7-Ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.