3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione (CAS 797775-61-2) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 08333544, AB00763931-01, BRD-K57111046-001-01-6, 3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione, 7-Allyl-3-methyl-8-p-tolylsulfanyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.06892 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 995.82263 |
Chemical Identifiers
| CAS Number | 797775-61-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
Product Overview
3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione (CAS 797775-61-2), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 2.06892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-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 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione is 797775-61-2.
What is the molecular formula of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione is C16H16N4O2S.
What is the molecular weight of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione is 328.10 g/mol.
Where can I buy 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-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 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.