(E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one
TL;DR: (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one (CAS 333342-95-3) is a chemical compound with molecular formula C18H12BrN3O2 and molecular weight 381.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-2-one
Also Known As: (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one, 5-bromo-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-2-one, (3E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-1,3-dihydro-2H-indol-2-one, 4-(5-bromo-2-hydroxy-3H-indol-3-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (3Z)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C18H12BrN3O2 |
|---|---|
| Molecular Weight | 381.01 g/mol |
| LogP | 1.59532 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.0113 |
| Heavy Atoms | 24 |
| Complexity | 1157.21 |
Chemical Identifiers
| CAS Number | 333342-95-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C4C=C(C=CC4=NC3=O)Br |
Product Overview
(E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one (CAS 333342-95-3), with molecular formula C18H12BrN3O2 and molecular weight 381.01 g/mol. IUPAC: 5-bromo-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-2-one.
Chemical Property Profile of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one
Property Insights of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one
The XLogP value of 1.59532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one. Following Lipinski's Rule of Five, (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one has 1 hydrogen bond donor(s) and 2 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)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one?
The CAS number of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one is 333342-95-3.
What is the molecular formula of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one?
The molecular formula of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one is C18H12BrN3O2.
What is the molecular weight of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one?
The molecular weight of (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one is 381.01 g/mol.
Where can I buy (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one?
You can request a quote for (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-bromo-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.