4-Acetyamino-3-nitrophenacyl chloride
TL;DR: 4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-34-0) is a chemical compound with molecular formula C28H21BrN6O2 and molecular weight 552.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
Also Known As: 4-Acetyamino-3-nitrophenacyl chloride, 3H-Pyrazol-3-one, 2,4-dihydro-4-(1-(4-aminophenyl)ethylidene)-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-, (4Z)-4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one, 4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one, RefChem:1068986
| Molecular Formula | C28H21BrN6O2 |
|---|---|
| Molecular Weight | 552.09 g/mol |
| LogP | 5.3008 |
| Topological Polar Surface Area | 106.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.09094 |
| Heavy Atoms | 37 |
| Complexity | 1835.2919 |
Chemical Identifiers
| CAS Number | 119457-34-0 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)N)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53 |
Product Overview
4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-34-0), with molecular formula C28H21BrN6O2 and molecular weight 552.09 g/mol. IUPAC: (4Z)-4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one.
Chemical Property Profile of 4-Acetyamino-3-nitrophenacyl chloride
Property Insights of 4-Acetyamino-3-nitrophenacyl chloride
The XLogP value of 5.3008 indicates that 4-Acetyamino-3-nitrophenacyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.47 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 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Acetyamino-3-nitrophenacyl chloride?
The CAS number of 4-Acetyamino-3-nitrophenacyl chloride is 119457-34-0.
What is the molecular formula of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular formula of 4-Acetyamino-3-nitrophenacyl chloride is C28H21BrN6O2.
What is the molecular weight of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular weight of 4-Acetyamino-3-nitrophenacyl chloride is 552.09 g/mol.
Where can I buy 4-Acetyamino-3-nitrophenacyl chloride?
You can request a quote for 4-Acetyamino-3-nitrophenacyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyamino-3-nitrophenacyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyamino-3-nitrophenacyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.