F0654-1157
TL;DR: F0654-1157 (CAS 852171-39-2) is a chemical compound with molecular formula C23H19FN4O4S and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1157, 7-(4-fluorophenyl)-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C23H19FN4O4S |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 2.8169 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.1111 |
| Heavy Atoms | 33 |
| Complexity | 1478.5966 |
Chemical Identifiers
| CAS Number | 852171-39-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)C4=CC=C(C=C4)OC)C(=O)N(C1=O)C |
Product Overview
F0654-1157 (CAS 852171-39-2), with molecular formula C23H19FN4O4S and molecular weight 466.11 g/mol. IUPAC: 7-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1157
Property Insights of F0654-1157
The XLogP value of 2.8169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1157. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1157. Following Lipinski's Rule of Five, F0654-1157 has 0 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 F0654-1157?
The CAS number of F0654-1157 is 852171-39-2.
What is the molecular formula of F0654-1157?
The molecular formula of F0654-1157 is C23H19FN4O4S.
What is the molecular weight of F0654-1157?
The molecular weight of F0654-1157 is 466.11 g/mol.
Where can I buy F0654-1157?
You can request a quote for F0654-1157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1157?
Yes, KEHONG BIO provides custom synthesis services for F0654-1157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.