2J-578S
TL;DR: 2J-578S (CAS 317822-33-6) is a chemical compound with molecular formula C26H21F3N2O4 and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-1-yl]methyl]benzoate
Also Known As: 2J-578S, Methyl 4-[[3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-1-yl]methyl]benzoate, methyl 4-{[3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1(2H)-quinoxalinyl]methyl}benzenecarboxylate, methyl 4-({3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroquinoxalin-1-yl}methyl)benzoate, methyl 4-({3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-1-yl}methyl)benzoate
| Molecular Formula | C26H21F3N2O4 |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 5.0741 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.14536 |
| Heavy Atoms | 35 |
| Complexity | 1288.2544 |
Chemical Identifiers
| CAS Number | 317822-33-6 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=C(C=C4)C(=O)OC |
Product Overview
2J-578S (CAS 317822-33-6), with molecular formula C26H21F3N2O4 and molecular weight 482.15 g/mol. IUPAC: methyl 4-[[3-methyl-2-oxo-4-[3-(trifluoromethyl)benzoyl]-3H-quinoxalin-1-yl]methyl]benzoate.
Chemical Property Profile of 2J-578S
Property Insights of 2J-578S
The XLogP value of 5.0741 indicates that 2J-578S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-578S. Following Lipinski's Rule of Five, 2J-578S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-578S?
The CAS number of 2J-578S is 317822-33-6.
What is the molecular formula of 2J-578S?
The molecular formula of 2J-578S is C26H21F3N2O4.
What is the molecular weight of 2J-578S?
The molecular weight of 2J-578S is 482.15 g/mol.
Where can I buy 2J-578S?
You can request a quote for 2J-578S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-578S?
Yes, KEHONG BIO provides custom synthesis services for 2J-578S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.