(E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one
TL;DR: (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one (CAS 896164-86-6) is a chemical compound with molecular formula C30H25N5O2 and molecular weight 487.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one
Also Known As: (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one, 3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-[(1E)-2-(1-METHYL-1H-INDOL-3-YL)ETHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]quinazolin-4(3H)-one, 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one, 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one
| Molecular Formula | C30H25N5O2 |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 4.84562 |
| Topological Polar Surface Area | 66.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.20084 |
| Heavy Atoms | 37 |
| Complexity | 1952.15 |
Chemical Identifiers
| CAS Number | 896164-86-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)/C=C/C5=CN(C6=CC=CC=C65)C |
Product Overview
(E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one (CAS 896164-86-6), with molecular formula C30H25N5O2 and molecular weight 487.20 g/mol. IUPAC: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one.
Chemical Property Profile of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one
Property Insights of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one
The XLogP value of 4.84562 indicates that (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 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)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one?
The CAS number of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one is 896164-86-6.
What is the molecular formula of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one?
The molecular formula of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one is C30H25N5O2.
What is the molecular weight of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one?
The molecular weight of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one is 487.20 g/mol.
Where can I buy (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one?
You can request a quote for (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.