(E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(2-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-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one (CAS 896074-52-5) 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-(2-methyl-1H-indol-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-(2-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-(2-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-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4(3H)-one, 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one, 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
| Molecular Formula | C30H25N5O2 |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 5.14364 |
| Topological Polar Surface Area | 77.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.20084 |
| Heavy Atoms | 37 |
| Complexity | 1952.15 |
Chemical Identifiers
| CAS Number | 896074-52-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=C(N(N(C5=O)C6=CC=CC=C6)C)C |
Product Overview
(E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one (CAS 896074-52-5), 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-(2-methyl-1H-indol-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-(2-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-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one
The XLogP value of 5.14364 indicates that (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(2-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 77.61 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-(2-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-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one has 1 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 (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(2-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-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one is 896074-52-5.
What is the molecular formula of (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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-(2-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.