8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 368889-75-2) is a chemical compound with molecular formula C20H23BrN4O3S and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione
Also Known As: 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione, 8-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione
| Molecular Formula | C20H23BrN4O3S |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 3.7411 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.0674 |
| Heavy Atoms | 29 |
| Complexity | 1131.5643 |
Chemical Identifiers
| CAS Number | 368889-75-2 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C |
Product Overview
8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 368889-75-2), with molecular formula C20H23BrN4O3S and molecular weight 478.07 g/mol. IUPAC: 8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.7411 indicates that 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-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-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 368889-75-2.
What is the molecular formula of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H23BrN4O3S.
What is the molecular weight of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 478.07 g/mol.
Where can I buy 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-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-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.