F0654-0879
TL;DR: F0654-0879 (CAS 863003-47-8) is a chemical compound with molecular formula C20H17N5O2S and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-phenyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0879, 1,3-dimethyl-7-phenyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-7-phenyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-7-phenyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H17N5O2S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 2.3815 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1103 |
| Heavy Atoms | 28 |
| Complexity | 1267.2571 |
Chemical Identifiers
| CAS Number | 863003-47-8 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CN=CC=C4)C(=O)N(C1=O)C |
Product Overview
F0654-0879 (CAS 863003-47-8), with molecular formula C20H17N5O2S and molecular weight 391.11 g/mol. IUPAC: 1,3-dimethyl-7-phenyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0879
Property Insights of F0654-0879
The XLogP value of 2.3815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0879. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0879. Following Lipinski's Rule of Five, F0654-0879 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 F0654-0879?
The CAS number of F0654-0879 is 863003-47-8.
What is the molecular formula of F0654-0879?
The molecular formula of F0654-0879 is C20H17N5O2S.
What is the molecular weight of F0654-0879?
The molecular weight of F0654-0879 is 391.11 g/mol.
Where can I buy F0654-0879?
You can request a quote for F0654-0879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0879?
Yes, KEHONG BIO provides custom synthesis services for F0654-0879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.