(E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide
TL;DR: (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide (CAS 488802-99-9) is a chemical compound with molecular formula C20H15BrN4O5 and molecular weight 470.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-(4-methyl-2-nitrophenoxy)acetamide
Also Known As: (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide, N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide, N-[(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(4-methyl-2-nitrophenoxy)acetamide, N-[(E)-(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(4-methyl-2-nitrophenoxy)acetamide, N-[(Z)-(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(4-methyl-2-nitrophenoxy)acetamide
| Molecular Formula | C20H15BrN4O5 |
|---|---|
| Molecular Weight | 470.02 g/mol |
| LogP | 4.64852 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.02258 |
| Heavy Atoms | 30 |
| Complexity | 1226.1404 |
Chemical Identifiers
| CAS Number | 488802-99-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Br)CC#C)O)[N+](=O)[O-] |
Product Overview
(E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide (CAS 488802-99-9), with molecular formula C20H15BrN4O5 and molecular weight 470.02 g/mol. IUPAC: N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-(4-methyl-2-nitrophenoxy)acetamide.
Chemical Property Profile of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide
Property Insights of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide
The XLogP value of 4.64852 indicates that (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The CAS number of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide is 488802-99-9.
What is the molecular formula of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The molecular formula of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide is C20H15BrN4O5.
What is the molecular weight of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The molecular weight of (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide is 470.02 g/mol.
Where can I buy (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
You can request a quote for (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(4-methyl-2-nitrophenoxy)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.