F0654-1034
TL;DR: F0654-1034 (CAS 852169-53-0) is a chemical compound with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1034, 5-(ethylthio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-ethylsulfanyl-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-(ethylsulfanyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C16H15FN4O2S |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 1.9453 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.08997 |
| Heavy Atoms | 24 |
| Complexity | 1041.1024 |
Chemical Identifiers
| CAS Number | 852169-53-0 |
|---|---|
| SMILES | CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)F |
Product Overview
F0654-1034 (CAS 852169-53-0), with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol. IUPAC: 5-ethylsulfanyl-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1034
Property Insights of F0654-1034
The XLogP value of 1.9453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1034. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1034. Following Lipinski's Rule of Five, F0654-1034 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 F0654-1034?
The CAS number of F0654-1034 is 852169-53-0.
What is the molecular formula of F0654-1034?
The molecular formula of F0654-1034 is C16H15FN4O2S.
What is the molecular weight of F0654-1034?
The molecular weight of F0654-1034 is 346.09 g/mol.
Where can I buy F0654-1034?
You can request a quote for F0654-1034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1034?
Yes, KEHONG BIO provides custom synthesis services for F0654-1034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.