7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione (CAS 460735-14-2) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04426947, UPCMLD0ENAT5733418:001, 7-benzyl-1,3-dimethyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-benzyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione, 7-BENZYL-1,3-DI-ME-8-((2-(4-MORPHOLINYL)ET)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 460735-14-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)CC4=CC=CC=C4 |
| InChIKey | SQJIQUBOKHTGAE-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione (CAS 460735-14-2), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 6 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-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione is 460735-14-2.
What is the molecular formula of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione is C20H25N5O3S.
What is the molecular weight of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione is 415.17 g/mol.
Where can I buy 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)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-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1,3-DI-ME-8-((2-(4-morpholinyl)ET)thio)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.