7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 303970-87-8) is a chemical compound with molecular formula C13H20N4O2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: BAS 00844003, 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-ethyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione, AB00667693-01, F0373-1089
| Molecular Formula | C13H20N4O2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.1307 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 303970-87-8 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C |
| InChIKey | PAPQWJIVQRVVTB-UHFFFAOYSA-N |
Product Overview
7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 303970-87-8), with molecular formula C13H20N4O2S and molecular weight 296.13 g/mol. IUPAC: 7-ethyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 303970-87-8.
What is the molecular formula of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H20N4O2S.
What is the molecular weight of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 296.13 g/mol.
Where can I buy 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-ethyl-8-(isopentylthio)-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-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-ethyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.