1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione
TL;DR: 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione (CAS 897453-63-3) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione
Also Known As: AB01278725-01, F2599-0098, 1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione, 1,3,9-trimethyl-8-{[(naphthalen-1-yl)methyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 1,3,9-trimethyl-8-((naphthalen-1-ylmethyl)thio)-1H-purine-2,6(3H,9H)-dione
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.4162 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 1261.2356 |
Chemical Identifiers
| CAS Number | 897453-63-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=CC4=CC=CC=C43 |
Product Overview
1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione (CAS 897453-63-3), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione
Property Insights of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione
The XLogP value of 2.4162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione?
The CAS number of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione is 897453-63-3.
What is the molecular formula of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione?
The molecular formula of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione is C19H18N4O2S.
What is the molecular weight of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione?
The molecular weight of 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione is 366.12 g/mol.
Where can I buy 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione?
You can request a quote for 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)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 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,9-Trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.