F0654-1041
TL;DR: F0654-1041 (CAS 852169-63-2) is a chemical compound with molecular formula C17H15FN4O2S and molecular weight 358.09 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-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1041, 5-(allylthio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-(4-fluorophenyl)-1,3-dimethyl-5-(prop-2-en-1-ylsulfanyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H15FN4O2S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 2.1114 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08997 |
| Heavy Atoms | 25 |
| Complexity | 1086.9738 |
Chemical Identifiers
| CAS Number | 852169-63-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC=C)C(=O)N(C1=O)C |
Product Overview
F0654-1041 (CAS 852169-63-2), with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol. IUPAC: 7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1041
Property Insights of F0654-1041
The XLogP value of 2.1114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1041. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1041. Following Lipinski's Rule of Five, F0654-1041 has 0 hydrogen bond donor(s) and 5 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 F0654-1041?
The CAS number of F0654-1041 is 852169-63-2.
What is the molecular formula of F0654-1041?
The molecular formula of F0654-1041 is C17H15FN4O2S.
What is the molecular weight of F0654-1041?
The molecular weight of F0654-1041 is 358.09 g/mol.
Where can I buy F0654-1041?
You can request a quote for F0654-1041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1041?
Yes, KEHONG BIO provides custom synthesis services for F0654-1041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.