7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione
TL;DR: 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione (CAS 374099-86-2) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-heptylsulfanyl-1,3-dimethyl-purine-2,6-dione, 8-heptylthio-1,3-dimethyl-7-benzyl-1,3,7-trihydropurine-2,6-dione, 7-benzyl-8-(heptylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-8-(heptylthio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 3.5445 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 1050.1833 |
Chemical Identifiers
| CAS Number | 374099-86-2 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione (CAS 374099-86-2), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: 7-benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione
Property Insights of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione
The XLogP value of 3.5445 indicates that 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-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 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-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 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione is 374099-86-2.
What is the molecular formula of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione is C21H28N4O2S.
What is the molecular weight of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione is 400.19 g/mol.
Where can I buy 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-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 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.