F1280-0022
TL;DR: F1280-0022 (CAS 496775-79-2) is a chemical compound with molecular formula C31H23FN4O3S and molecular weight 550.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: F1280-0022, 3-[3-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)propyl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione, 2-(3-(5-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(3-{5-[(p-fluorobenzoyl)methylthio]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-2-aza-1H-phenalene-1,3(2H)-dione
| Molecular Formula | C31H23FN4O3S |
|---|---|
| Molecular Weight | 550.15 g/mol |
| LogP | 5.7634 |
| Topological Polar Surface Area | 85.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.14746 |
| Heavy Atoms | 40 |
| Complexity | 1701.5575 |
Chemical Identifiers
| CAS Number | 496775-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
F1280-0022 (CAS 496775-79-2), with molecular formula C31H23FN4O3S and molecular weight 550.15 g/mol. IUPAC: 2-[3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of F1280-0022
Property Insights of F1280-0022
The XLogP value of 5.7634 indicates that F1280-0022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F1280-0022. Following Lipinski's Rule of Five, F1280-0022 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1280-0022?
The CAS number of F1280-0022 is 496775-79-2.
What is the molecular formula of F1280-0022?
The molecular formula of F1280-0022 is C31H23FN4O3S.
What is the molecular weight of F1280-0022?
The molecular weight of F1280-0022 is 550.15 g/mol.
Where can I buy F1280-0022?
You can request a quote for F1280-0022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1280-0022?
Yes, KEHONG BIO provides custom synthesis services for F1280-0022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.