F0654-1044
TL;DR: F0654-1044 (CAS 852169-65-4) is a chemical compound with molecular formula C20H20FN5O3S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1044, 7-(4-fluorophenyl)-1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-fluorophenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-(4-fluorophenyl)-1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H20FN5O3S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 1.5478 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.12708 |
| Heavy Atoms | 30 |
| Complexity | 1246.5072 |
Chemical Identifiers
| CAS Number | 852169-65-4 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)N4CCCC4)C(=O)N(C1=O)C |
Product Overview
F0654-1044 (CAS 852169-65-4), with molecular formula C20H20FN5O3S and molecular weight 429.13 g/mol. IUPAC: 7-(4-fluorophenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1044
Property Insights of F0654-1044
The XLogP value of 1.5478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1044. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1044. Following Lipinski's Rule of Five, F0654-1044 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 F0654-1044?
The CAS number of F0654-1044 is 852169-65-4.
What is the molecular formula of F0654-1044?
The molecular formula of F0654-1044 is C20H20FN5O3S.
What is the molecular weight of F0654-1044?
The molecular weight of F0654-1044 is 429.13 g/mol.
Where can I buy F0654-1044?
You can request a quote for F0654-1044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1044?
Yes, KEHONG BIO provides custom synthesis services for F0654-1044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.