F0654-1106
TL;DR: F0654-1106 (CAS 852170-66-2) is a chemical compound with molecular formula C21H22FN5O4S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Also Known As: F0654-1106, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide, 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
| Molecular Formula | C21H22FN5O4S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 1.2206 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.13766 |
| Heavy Atoms | 32 |
| Complexity | 1282.5652 |
Chemical Identifiers
| CAS Number | 852170-66-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NCC4CCCO4)C(=O)N(C1=O)C |
Product Overview
F0654-1106 (CAS 852170-66-2), with molecular formula C21H22FN5O4S and molecular weight 459.14 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of F0654-1106
Property Insights of F0654-1106
The XLogP value of 1.2206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1106. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1106. Following Lipinski's Rule of Five, F0654-1106 has 1 hydrogen bond donor(s) and 7 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 F0654-1106?
The CAS number of F0654-1106 is 852170-66-2.
What is the molecular formula of F0654-1106?
The molecular formula of F0654-1106 is C21H22FN5O4S.
What is the molecular weight of F0654-1106?
The molecular weight of F0654-1106 is 459.14 g/mol.
Where can I buy F0654-1106?
You can request a quote for F0654-1106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1106?
Yes, KEHONG BIO provides custom synthesis services for F0654-1106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.