8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione (CAS 433255-06-2) is a chemical compound with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione
Also Known As: BAS 04204033, 8-acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione, A2806/0118660, 8-(9-acridinylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(Acridin-9-ylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 2.8233 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1507.5364 |
Chemical Identifiers
| CAS Number | 433255-06-2 |
|---|---|
| SMILES | CN1C2=C(N=C1SC3=C4C=CC=CC4=NC5=CC=CC=C53)N(C(=O)N(C2=O)C)C |
Product Overview
8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione (CAS 433255-06-2), with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol. IUPAC: 8-acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 2.8233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione has 0 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 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione is 433255-06-2.
What is the molecular formula of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione is C21H17N5O2S.
What is the molecular weight of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione is 403.11 g/mol.
Where can I buy 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-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 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.