8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 333768-91-5) is a chemical compound with molecular formula C12H18N4O3S and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 00964879, 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00667620-01, 7-(2-methoxyethyl)-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione, F0372-0635
| Molecular Formula | C12H18N4O3S |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 0.5702 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.10995 |
| Heavy Atoms | 20 |
| Complexity | 728.6033 |
Chemical Identifiers
| CAS Number | 333768-91-5 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C |
Product Overview
8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 333768-91-5), with molecular formula C12H18N4O3S and molecular weight 298.11 g/mol. IUPAC: 7-(2-methoxyethyl)-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.5702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(isopropylthio)-7-(2-methoxyethyl)-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 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(isopropylthio)-7-(2-methoxyethyl)-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 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 333768-91-5.
What is the molecular formula of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C12H18N4O3S.
What is the molecular weight of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 298.11 g/mol.
Where can I buy 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(isopropylthio)-7-(2-methoxyethyl)-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 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(isopropylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.