7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 442864-61-1) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(2-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 04914658, UPCMLD0ENAT5731835:001, AB00147679-02, F1191-0050, 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 0.9549 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 1018.2795 |
Chemical Identifiers
| CAS Number | 442864-61-1 |
|---|---|
| SMILES | CC(CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O |
Product Overview
7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 442864-61-1), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 7-benzyl-8-(2-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 0.9549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 1 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-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 442864-61-1.
What is the molecular formula of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C17H20N4O3S.
What is the molecular weight of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 360.13 g/mol.
Where can I buy 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-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-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(2-hydroxy-propylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.