7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 488123-01-9) is a chemical compound with molecular formula C16H24N4O3S and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: BAS 04914738, UPCMLD0ENAT5731326:001, 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, AB00673609-01, 7-hexyl-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
| Molecular Formula | C16H24N4O3S |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 2.0732 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.15692 |
| Heavy Atoms | 24 |
| Complexity | 849.35016 |
Chemical Identifiers
| CAS Number | 488123-01-9 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 488123-01-9), with molecular formula C16H24N4O3S and molecular weight 352.16 g/mol. IUPAC: 7-hexyl-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.0732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-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-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 488123-01-9.
What is the molecular formula of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is C16H24N4O3S.
What is the molecular weight of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 352.16 g/mol.
Where can I buy 7-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-hexyl-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-hexyl-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-hexyl-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.