7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
TL;DR: 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione (CAS 868213-89-2) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
Also Known As: BAS 10854137, 7-(2-methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-(p-tolylthio)-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)sulfanyl]-3,7-dihydro-2H-purin-2-one, 7-(2-Methoxy-ethyl)-3-methyl-8-p-tolylsulfanyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 868213-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C |
| InChIKey | NNNCDVUZNKCXKL-UHFFFAOYSA-N |
Product Overview
7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione (CAS 868213-89-2), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: 7-(2-methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
Property Insights of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione has 1 hydrogen bond donor(s) and 5 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 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione?
The CAS number of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione is 868213-89-2.
What is the molecular formula of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione?
The molecular formula of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione is C16H18N4O3S.
What is the molecular weight of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione?
The molecular weight of 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione is 346.11 g/mol.
Where can I buy 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione?
You can request a quote for 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.