F0654-1091
TL;DR: F0654-1091 (CAS 852170-46-8) is a chemical compound with molecular formula C23H17F4N5O4S and molecular weight 535.09 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-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: F0654-1091, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]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-[4-(trifluoromethoxy)phenyl]acetamide
| Molecular Formula | C23H17F4N5O4S |
|---|---|
| Molecular Weight | 535.09 g/mol |
| LogP | 3.4627 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.09375 |
| Heavy Atoms | 37 |
| Complexity | 1600.2494 |
Chemical Identifiers
| CAS Number | 852170-46-8 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)OC(F)(F)F)C(=O)N(C1=O)C |
Product Overview
F0654-1091 (CAS 852170-46-8), with molecular formula C23H17F4N5O4S and molecular weight 535.09 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of F0654-1091
Property Insights of F0654-1091
The XLogP value of 3.4627 indicates that F0654-1091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1091. Following Lipinski's Rule of Five, F0654-1091 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0654-1091?
The CAS number of F0654-1091 is 852170-46-8.
What is the molecular formula of F0654-1091?
The molecular formula of F0654-1091 is C23H17F4N5O4S.
What is the molecular weight of F0654-1091?
The molecular weight of F0654-1091 is 535.09 g/mol.
Where can I buy F0654-1091?
You can request a quote for F0654-1091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1091?
Yes, KEHONG BIO provides custom synthesis services for F0654-1091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.