7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione (CAS 109345-47-3) is a chemical compound with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione
Also Known As: NCIOpen2_009478, 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione, 7-benzyl-1-hydroxy-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione, 7-benzyl-1-hydroxy-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C13H12N4O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.06302 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 109345-47-3 |
|---|---|
| SMILES | CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)O |
| InChIKey | PDCWDPJIFWRJKS-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione (CAS 109345-47-3), with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol. IUPAC: 7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione.
Chemical Property Profile of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 5 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-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione is 109345-47-3.
What is the molecular formula of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione is C13H12N4O3S.
What is the molecular weight of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione is 304.06 g/mol.
Where can I buy 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Benzyl-1-hydroxy-8-(methylthio)-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 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.