7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione (CAS 402470-63-7) is a chemical compound with molecular formula C17H17ClN4O3S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, AB00673511-01, F1167-0025, 7-(2-CL-BENZYL)-3-ME-8-((1-ME-2-OXOPROPYL)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
| Molecular Formula | C17H17ClN4O3S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 2.1946 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.07098 |
| Heavy Atoms | 26 |
| Complexity | 1115.374 |
Chemical Identifiers
| CAS Number | 402470-63-7 |
|---|---|
| SMILES | CC(C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione (CAS 402470-63-7), with molecular formula C17H17ClN4O3S and molecular weight 392.07 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.1946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-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-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione is 402470-63-7.
What is the molecular formula of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione is C17H17ClN4O3S.
What is the molecular weight of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione is 392.07 g/mol.
Where can I buy 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-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-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-CL-Benzyl)-3-ME-8-((1-ME-2-oxopropyl)thio)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.