![4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/355/355001-36-4.png)
4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 355001-36-4) is a chemical compound with molecular formula C24H16Br2ClIN2O2 and molecular weight 683.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[5-bromo-2-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-2-(4-bromophenyl)-5-methylpyrazol-3-one
Also Known As: 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[[5-bromo-2-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-2-(4-bromophenyl)-5-methylpyrazol-3-one, 4-({5-BROMO-2-[(2-CHLOROBENZYL)OXY]-3-IODOPHENYL}METHYLENE)-1-(4-BROMOPHENYL)-3-METHYL-1H-PYRAZOL-5-ONE
| Molecular Formula | C24H16Br2ClIN2O2 |
|---|---|
| Molecular Weight | 683.83 g/mol |
| LogP | 7.8547 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 683.8312 |
| Heavy Atoms | 32 |
| Complexity | 1259.3541 |
Chemical Identifiers
| CAS Number | 355001-36-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=C(C(=CC(=C2)Br)I)OCC3=CC=CC=C3Cl)C4=CC=C(C=C4)Br |
Product Overview
4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 355001-36-4), with molecular formula C24H16Br2ClIN2O2 and molecular weight 683.83 g/mol. IUPAC: (4Z)-4-[[5-bromo-2-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-2-(4-bromophenyl)-5-methylpyrazol-3-one.
Chemical Property Profile of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 7.8547 indicates that 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-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 41.9 Ų, 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-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 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 355001-36-4.
What is the molecular formula of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C24H16Br2ClIN2O2.
What is the molecular weight of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 683.83 g/mol.
Where can I buy 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-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 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-bromo-2-[(2-chlorobenzyl)oxy]-3-iodobenzylidene}-2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.