4-Acetyamino-3-nitrophenacyl chloride
TL;DR: 4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-30-6) is a chemical compound with molecular formula C28H20BrN5O2 and molecular weight 537.08 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-(1-phenylethylidene)pyrazol-3-one
Also Known As: 4-Acetyamino-3-nitrophenacyl chloride, 3H-Pyrazol-3-one, 2,4-dihydro-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(1-phenylethylidene)-, (4Z)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-(1-phenylethylidene)pyrazol-3-one, 2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-(1-phenylethylidene)pyrazol-3-one
Technical Specifications
| Molecular Formula | C28H20BrN5O2 |
| Molecular Weight | 537.08 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.08 Da |
| Heavy Atoms | 36 |
| Complexity | 960.0 |
| SMILES | CC\1=NN(C(=O)/C1=C(/C)\C2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53 |
| InChIKey | BRLJSZHCYMQRGR-XYGWBWBKSA-N |
Chemical Property Profile of 4-Acetyamino-3-nitrophenacyl chloride
Property Insights of 4-Acetyamino-3-nitrophenacyl chloride
The XLogP value of 5.9 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 119457-30-6.
What is the molecular formula of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular formula of 4-Acetyamino-3-nitrophenacyl chloride is C28H20BrN5O2.
What is the molecular weight of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular weight of 4-Acetyamino-3-nitrophenacyl chloride is 537.08 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.