4-Acetyamino-3-nitrophenacyl chloride
TL;DR: 4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-21-5) is a chemical compound with molecular formula C29H22ClN5O2 and molecular weight 507.1462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one
Also Known As: 4-Acetyamino-3-nitrophenacyl chloride, 3H-Pyrazol-3-one, 2,4-dihydro-2-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(1-(4-methylphenyl)ethylidene)-, 1-(2-(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-3-methyl-4-(1-(p-tolyl)ethylidene)-1H-pyrazol-5(4H)-one, (4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one, 2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one
Technical Specifications
| Molecular Formula | C29H22ClN5O2 |
| Molecular Weight | 507.1462 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 507.1462 Da |
| Heavy Atoms | 37 |
| Complexity | 989.0 |
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(=NN(C2=O)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53)C)/C |
| InChIKey | KRCPAMYGDLKMNP-ONUIUJJFSA-N |
Chemical Property Profile of 4-Acetyamino-3-nitrophenacyl chloride
Property Insights of 4-Acetyamino-3-nitrophenacyl chloride
The XLogP value of 6.2 indicates that 4-Acetyamino-3-nitrophenacyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyamino-3-nitrophenacyl chloride. Following Lipinski's Rule of Five, 4-Acetyamino-3-nitrophenacyl chloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Acetyamino-3-nitrophenacyl chloride?
The CAS number of 4-Acetyamino-3-nitrophenacyl chloride is 119457-21-5.
What is the molecular formula of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular formula of 4-Acetyamino-3-nitrophenacyl chloride is C29H22ClN5O2.
What is the molecular weight of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular weight of 4-Acetyamino-3-nitrophenacyl chloride is 507.1462 g/mol.
Where can I buy 4-Acetyamino-3-nitrophenacyl chloride?
You can request a quote for 4-Acetyamino-3-nitrophenacyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetyamino-3-nitrophenacyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Acetyamino-3-nitrophenacyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.