8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione (CAS 476481-18-2) is a chemical compound with molecular formula C25H21ClN4O2S and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 8-((2-Chlorobenzyl)thio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-((2-CL-BENZYL)THIO)-1,3-DI-ME-7-(1-NAPHTHYL-ME)3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 8-{[(2-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 631-633-6
| Molecular Formula | C25H21ClN4O2S |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 4.5809 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.10736 |
| Heavy Atoms | 33 |
| Complexity | 1628.6569 |
Chemical Identifiers
| CAS Number | 476481-18-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54 |
Product Overview
8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione (CAS 476481-18-2), with molecular formula C25H21ClN4O2S and molecular weight 476.11 g/mol. IUPAC: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.5809 indicates that 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione has 0 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 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is 476481-18-2.
What is the molecular formula of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is C25H21ClN4O2S.
What is the molecular weight of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione is 476.11 g/mol.
Where can I buy 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-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-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-CL-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.