2J-598S
TL;DR: 2J-598S (CAS 317822-39-2) is a chemical compound with molecular formula C24H18ClF3N2O2 and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-2-one
Also Known As: 2J-598S, 1-(3-chlorobenzyl)-3-methyl-4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2(1H)-quinoxalinone, 1-[(3-chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-2-one, 1-[(3-chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroquinoxalin-2-one
| Molecular Formula | C24H18ClF3N2O2 |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 5.9409 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.1009 |
| Heavy Atoms | 32 |
| Complexity | 1195.6119 |
Chemical Identifiers
| CAS Number | 317822-39-2 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F)CC4=CC(=CC=C4)Cl |
Product Overview
2J-598S (CAS 317822-39-2), with molecular formula C24H18ClF3N2O2 and molecular weight 458.10 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-2-one.
Chemical Property Profile of 2J-598S
Property Insights of 2J-598S
The XLogP value of 5.9409 indicates that 2J-598S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 2J-598S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2J-598S 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 2J-598S?
The CAS number of 2J-598S is 317822-39-2.
What is the molecular formula of 2J-598S?
The molecular formula of 2J-598S is C24H18ClF3N2O2.
What is the molecular weight of 2J-598S?
The molecular weight of 2J-598S is 458.10 g/mol.
Where can I buy 2J-598S?
You can request a quote for 2J-598S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-598S?
Yes, KEHONG BIO provides custom synthesis services for 2J-598S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.