4-Acetyamino-3-nitrophenacyl chloride
TL;DR: 4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-20-4) is a chemical compound with molecular formula C29H22ClN5O3 and molecular weight 523.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-methoxyphenyl)ethylidene]-5-methylpyrazol-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)-4-(1-(4-methoxyphenyl)ethylidene)-5-methyl-, 1-(2-(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-4-(1-(4-methoxyphenyl)ethylidene)-3-methyl-1H-pyrazol-5(4H)-one, (4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-methoxyphenyl)ethylidene]-5-methylpyrazol-3-one, 2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-methoxyphenyl)ethylidene]-5-methylpyrazol-3-one
| Molecular Formula | C29H22ClN5O3 |
|---|---|
| Molecular Weight | 523.14 g/mol |
| LogP | 5.6181 |
| Topological Polar Surface Area | 89.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.1411 |
| Heavy Atoms | 38 |
| Complexity | 1853.8934 |
Chemical Identifiers
| CAS Number | 119457-20-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)OC)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53 |
Product Overview
4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-20-4), with molecular formula C29H22ClN5O3 and molecular weight 523.14 g/mol. IUPAC: (4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-methoxyphenyl)ethylidene]-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 5.6181 indicates that 4-Acetyamino-3-nitrophenacyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.68 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 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 119457-20-4.
What is the molecular formula of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular formula of 4-Acetyamino-3-nitrophenacyl chloride is C29H22ClN5O3.
What is the molecular weight of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular weight of 4-Acetyamino-3-nitrophenacyl chloride is 523.14 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.