![8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione structure](/static/products/330/330180-13-7.png)
8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione (CAS 330180-13-7) is a chemical compound with molecular formula C21H27ClN4O2S and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
Also Known As: BAS 00620134, 8-[(2-chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione, 8-((2-chlorobenzyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione, 8-(2-Chloro-benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-purine-2,6-dione, 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
| Molecular Formula | C21H27ClN4O2S |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 4.7295 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.15433 |
| Heavy Atoms | 29 |
| Complexity | 1086.4551 |
Chemical Identifiers
| CAS Number | 330180-13-7 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C |
Product Overview
8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione (CAS 330180-13-7), with molecular formula C21H27ClN4O2S and molecular weight 434.15 g/mol. IUPAC: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione.
Chemical Property Profile of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 4.7295 indicates that 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-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 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione is 330180-13-7.
What is the molecular formula of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione is C21H27ClN4O2S.
What is the molecular weight of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione is 434.15 g/mol.
Where can I buy 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-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-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-Chlorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.