7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-80-4) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(2-ethoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 04914699, 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00673593-01, 7-benzyl-8-(2-ethoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione, F1191-0091
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.6106 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 1020.82275 |
Chemical Identifiers
| CAS Number | 442864-80-4 |
|---|---|
| SMILES | CCOCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-80-4), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 7-benzyl-8-(2-ethoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.6106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 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-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 442864-80-4.
What is the molecular formula of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C18H22N4O3S.
What is the molecular weight of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 374.14 g/mol.
Where can I buy 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-8-((2-ethoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.