3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 335403-21-9) 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.
3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione
Also Known As: 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-(2-morpholinoethylthio)-7-phenethyl-xanthine, 3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione, 3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-phenethylpurine-2,6-dione
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 335403-21-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CCC4=CC=CC=C4 |
| InChIKey | VTLFRQSZVYSVRS-UHFFFAOYSA-N |
Product Overview
3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 335403-21-9), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione has 1 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 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 335403-21-9.
What is the molecular formula of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione is C20H25N5O3S.
What is the molecular weight of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 415.17 g/mol.
Where can I buy 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-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-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((2-morpholinoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.