4-Acetyamino-3-nitrophenacyl chloride
TL;DR: 4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-33-9) is a chemical compound with molecular formula C29H22BrN5O2 and molecular weight 551.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-[2-(9-bromoindolo[3,2-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-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(1-(4-methylphenyl)ethylidene)-, (4Z)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one, 2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one, RefChem:1068981
| Molecular Formula | C29H22BrN5O2 |
|---|---|
| Molecular Weight | 551.10 g/mol |
| LogP | 6.02702 |
| Topological Polar Surface Area | 80.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 551.0957 |
| Heavy Atoms | 37 |
| Complexity | 1832.9165 |
Chemical Identifiers
| CAS Number | 119457-33-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(=NN(C2=O)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53)C)/C |
Product Overview
4-Acetyamino-3-nitrophenacyl chloride (CAS 119457-33-9), with molecular formula C29H22BrN5O2 and molecular weight 551.10 g/mol. IUPAC: (4Z)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one.
Chemical Property Profile of 4-Acetyamino-3-nitrophenacyl chloride
Property Insights of 4-Acetyamino-3-nitrophenacyl chloride
The XLogP value of 6.02702 indicates that 4-Acetyamino-3-nitrophenacyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.45 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
Frequently Asked Questions
What is the CAS number of 4-Acetyamino-3-nitrophenacyl chloride?
The CAS number of 4-Acetyamino-3-nitrophenacyl chloride is 119457-33-9.
What is the molecular formula of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular formula of 4-Acetyamino-3-nitrophenacyl chloride is C29H22BrN5O2.
What is the molecular weight of 4-Acetyamino-3-nitrophenacyl chloride?
The molecular weight of 4-Acetyamino-3-nitrophenacyl chloride is 551.10 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.