7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-10-3) is a chemical compound with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethoxyethyl)-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, AB00660414-02, F1191-0138, 7-(2-ethoxyethyl)-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione, 7-(2-Ethoxy-ethyl)-3-methyl-8-(1-methyl-2-oxo-propylsulfanyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H20N4O4S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 0.5294 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.1205 |
| Heavy Atoms | 23 |
| Complexity | 835.64044 |
Chemical Identifiers
| CAS Number | 442865-10-3 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-10-3), with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol. IUPAC: 7-(2-ethoxyethyl)-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.5294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 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-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 442865-10-3.
What is the molecular formula of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is C14H20N4O4S.
What is the molecular weight of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 340.12 g/mol.
Where can I buy 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-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-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-ethoxyethyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.