8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 487018-39-3) is a chemical compound with molecular formula C13H20N4O3S and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-butan-2-ylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-(butan-2-ylsulfanyl)-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(SEC-BUTYLTHIO)-7-(2-METHOXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(butan-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H20N4O3S |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 0.9603 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1256 |
| Heavy Atoms | 21 |
| Complexity | 746.17993 |
Chemical Identifiers
| CAS Number | 487018-39-3 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C |
Product Overview
8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 487018-39-3), with molecular formula C13H20N4O3S and molecular weight 312.13 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(sec-butylthio)-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-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(sec-butylthio)-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-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 487018-39-3.
What is the molecular formula of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H20N4O3S.
What is the molecular weight of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 312.13 g/mol.
Where can I buy 8-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(sec-butylthio)-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-(sec-butylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(sec-butylthio)-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.