1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 476480-45-2) is a chemical compound with molecular formula C24H27N5O3S and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 1,3-DIMETHYL-8-{[2-(4-MORPHOLINYL)ETHYL]SULFANYL}-7-(1-NAPHTHYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C24H27N5O3S |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.18347 |
| Heavy Atoms | 33 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 476480-45-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)CC4=CC=CC5=CC=CC=C54 |
| InChIKey | UIQJJFMJOYSKSR-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 476480-45-2), with molecular formula C24H27N5O3S and molecular weight 465.18 g/mol. IUPAC: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-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 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 476480-45-2.
What is the molecular formula of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C24H27N5O3S.
What is the molecular weight of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 465.18 g/mol.
Where can I buy 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-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 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-((2-morpholinoethyl)thio)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.