7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 500198-82-3) 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-benzyl-8-(2-methoxyethylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 04914670, 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, UPCMLD0ENAT5734756:001, 7-benzyl-8-(2-methoxyethylsulfanyl)-3-methylpurine-2,6-dione, AB00673589-01
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 1.2101 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 959.0983 |
Chemical Identifiers
| CAS Number | 500198-82-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOC)CC3=CC=CC=C3 |
Product Overview
7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 500198-82-3), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: 7-benzyl-8-(2-methoxyethylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-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-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 500198-82-3.
What is the molecular formula of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H18N4O3S.
What is the molecular weight of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 346.11 g/mol.
Where can I buy 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-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-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-8-((2-methoxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.