F0654-0061
TL;DR: F0654-0061 (CAS 852168-33-3) is a chemical compound with molecular formula C17H16N6O5S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-0061, N-(4-nitrophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-(4-nitrophenyl)-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-nitrophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
| Molecular Formula | C17H16N6O5S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 0.97462 |
| Topological Polar Surface Area | 142.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0903 |
| Heavy Atoms | 29 |
| Complexity | 1248.3788 |
Chemical Identifiers
| CAS Number | 852168-33-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0061 (CAS 852168-33-3), with molecular formula C17H16N6O5S and molecular weight 416.09 g/mol. IUPAC: N-(4-nitrophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-0061
Property Insights of F0654-0061
The XLogP value of 0.97462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0061. The TPSA of 142.02 Ų indicates high polarity, suggesting F0654-0061 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0654-0061 has 1 hydrogen bond donor(s) and 8 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 F0654-0061?
The CAS number of F0654-0061 is 852168-33-3.
What is the molecular formula of F0654-0061?
The molecular formula of F0654-0061 is C17H16N6O5S.
What is the molecular weight of F0654-0061?
The molecular weight of F0654-0061 is 416.09 g/mol.
Where can I buy F0654-0061?
You can request a quote for F0654-0061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0061?
Yes, KEHONG BIO provides custom synthesis services for F0654-0061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.