![(4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/836/836624-76-1.png)
(4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 836624-76-1) is a chemical compound with molecular formula C28H34N4O and molecular weight 442.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[1-[[bis(2-methylpropyl)amino]methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[[1-[[bis(2-methylpropyl)amino]methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one, (E)-4-((1-((diisobutylamino)methyl)-1H-indol-3-yl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-[[1-[(bis(2-methylpropyl)amino)methyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one
| Molecular Formula | C28H34N4O |
|---|---|
| Molecular Weight | 442.27 g/mol |
| LogP | 6.0189 |
| Topological Polar Surface Area | 40.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.27325 |
| Heavy Atoms | 33 |
| Complexity | 1177.0875 |
Chemical Identifiers
| CAS Number | 836624-76-1 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CN(CC(C)C)CC(C)C)C4=CC=CC=C4 |
Product Overview
(4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 836624-76-1), with molecular formula C28H34N4O and molecular weight 442.27 g/mol. IUPAC: (4E)-4-[[1-[[bis(2-methylpropyl)amino]methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.0189 indicates that (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.84 Ų, (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 836624-76-1.
What is the molecular formula of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C28H34N4O.
What is the molecular weight of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 442.27 g/mol.
Where can I buy (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(1-{[bis(2-methylpropyl)amino]methyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.