F0654-0059
TL;DR: F0654-0059 (CAS 852168-32-2) is a chemical compound with molecular formula C18H16F3N5O4S and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(trifluoromethoxy)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-0059, N-(4-(trifluoromethoxy)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-[4-(trifluoromethoxy)phenyl]-2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, N-[4-(trifluoromethoxy)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide, N-p-trifluoromethoxyphenyl(2-methyl-6,8-dimethyl-5,7-dioxo-1,3,6,8-tetraaza-5,6,7,8-tetrahydro-4-naphthylthio)acetamide
| Molecular Formula | C18H16F3N5O4S |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 1.96502 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.08752 |
| Heavy Atoms | 31 |
| Complexity | 1268.8912 |
Chemical Identifiers
| CAS Number | 852168-32-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0059 (CAS 852168-32-2), with molecular formula C18H16F3N5O4S and molecular weight 455.09 g/mol. IUPAC: N-[4-(trifluoromethoxy)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-0059
Property Insights of F0654-0059
The XLogP value of 1.96502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0059. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0059. Following Lipinski's Rule of Five, F0654-0059 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 F0654-0059?
The CAS number of F0654-0059 is 852168-32-2.
What is the molecular formula of F0654-0059?
The molecular formula of F0654-0059 is C18H16F3N5O4S.
What is the molecular weight of F0654-0059?
The molecular weight of F0654-0059 is 455.09 g/mol.
Where can I buy F0654-0059?
You can request a quote for F0654-0059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0059?
Yes, KEHONG BIO provides custom synthesis services for F0654-0059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.