7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 303972-87-4) is a chemical compound with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731107:001, BAS 00844514, 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-hexyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione, F0372-0438
| Molecular Formula | C20H24N4O3S |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 2.9786 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 1082.5093 |
Chemical Identifiers
| CAS Number | 303972-87-4 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 303972-87-4), with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol. IUPAC: 7-hexyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)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-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)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-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is 303972-87-4.
What is the molecular formula of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is C20H24N4O3S.
What is the molecular weight of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione is 400.16 g/mol.
Where can I buy 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)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-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.