F0654-0226
TL;DR: F0654-0226 (CAS 852170-47-9) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-1,3-dimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0226, 7-ethyl-1,3-dimethyl-5-((4-methylbenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-ethyl-1,3-dimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione, 7-ethyl-1,3-dimethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.19032 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 1051.8347 |
Chemical Identifiers
| CAS Number | 852170-47-9 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0226 (CAS 852170-47-9), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 7-ethyl-1,3-dimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0226
Property Insights of F0654-0226
The XLogP value of 2.19032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0226. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0226. Following Lipinski's Rule of Five, F0654-0226 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 F0654-0226?
The CAS number of F0654-0226 is 852170-47-9.
What is the molecular formula of F0654-0226?
The molecular formula of F0654-0226 is C18H20N4O2S.
What is the molecular weight of F0654-0226?
The molecular weight of F0654-0226 is 356.13 g/mol.
Where can I buy F0654-0226?
You can request a quote for F0654-0226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0226?
Yes, KEHONG BIO provides custom synthesis services for F0654-0226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.