3J-511S
TL;DR: 3J-511S (CAS 317833-41-3) is a chemical compound with molecular formula C24H18F4N2O2 and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorobenzoyl)-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-quinoxalin-2-one
Also Known As: 3J-511S, 4-(4-fluorobenzoyl)-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-quinoxalin-2-one, 4-(4-fluorobenzoyl)-3-methyl-1-[4-(trifluoromethyl)benzyl]-3,4-dihydro-2(1H)-quinoxalinone, 4-(4-fluorobenzoyl)-3-methyl-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroquinoxalin-2-one
| Molecular Formula | C24H18F4N2O2 |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 5.4266 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.13043 |
| Heavy Atoms | 32 |
| Complexity | 1157.8668 |
Chemical Identifiers
| CAS Number | 317833-41-3 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)C(F)(F)F |
Product Overview
3J-511S (CAS 317833-41-3), with molecular formula C24H18F4N2O2 and molecular weight 442.13 g/mol. IUPAC: 4-(4-fluorobenzoyl)-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-quinoxalin-2-one.
Chemical Property Profile of 3J-511S
Property Insights of 3J-511S
The XLogP value of 5.4266 indicates that 3J-511S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3J-511S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-511S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3J-511S?
The CAS number of 3J-511S is 317833-41-3.
What is the molecular formula of 3J-511S?
The molecular formula of 3J-511S is C24H18F4N2O2.
What is the molecular weight of 3J-511S?
The molecular weight of 3J-511S is 442.13 g/mol.
Where can I buy 3J-511S?
You can request a quote for 3J-511S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-511S?
Yes, KEHONG BIO provides custom synthesis services for 3J-511S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.