1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione
TL;DR: 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione (CAS 301354-06-3) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione
Also Known As: BAS 00341077, 1,7-bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione, 1,7-dibenzyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione, 8-(allylthio)-1,7-dibenzyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-Allylsulfanyl-1,7-dibenzyl-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 3.2714 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1304.5334 |
Chemical Identifiers
| CAS Number | 301354-06-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC=C)CC4=CC=CC=C4 |
Product Overview
1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione (CAS 301354-06-3), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: 1,7-dibenzyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione.
Chemical Property Profile of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione
Property Insights of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione
The XLogP value of 3.2714 indicates that 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-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 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-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 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione?
The CAS number of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione is 301354-06-3.
What is the molecular formula of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione is C23H22N4O2S.
What is the molecular weight of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione is 418.15 g/mol.
Where can I buy 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-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 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Bisbenzyl-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.