8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 374084-24-9) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione
Also Known As: BAS 01547248, UPCMLD0ENAT5733483:001, 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-1,3-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione, 8-(allylthio)-7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.7601 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 1014.97705 |
Chemical Identifiers
| CAS Number | 374084-24-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CC3=CC=CC=C3 |
Product Overview
8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 374084-24-9), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione.
Chemical Property Profile of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(allylthio)-7-benzyl-1,3-dimethyl-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-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 374084-24-9.
What is the molecular formula of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C17H18N4O2S.
What is the molecular weight of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 342.12 g/mol.
Where can I buy 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(allylthio)-7-benzyl-1,3-dimethyl-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-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(allylthio)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.