![CAS 1402830-75-4 3-[3-(4-Methoxyphenyl)-1-oxo-2-propen-1-yl]-4-phenyl-2(1H)-quinolinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402830-75-4.gif)
CAS RN: 1402830-75-4
3-[3-(4-Methoxyphenyl)-1-oxo-2-propen-1-yl]-4-phenyl-2(1H)-quinolinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 10mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1402830-75-4
- Purity/Analytical Methods: >99.0%
1402830-75-4 / 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Basic Information
CAS
1402830-75-4
Multi CAS
No
Molecular Formula
C25H19NO3
Molecular Weight
381.400000
Exact Mass
381.136493
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO3/c1-29-19-14-11-17(12-15-19)13-16-22(27)24-23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)26-25(24)28/h2-16H,1H3,(H,26,28)/b16-13+
InChIKey
YIJGNIIQDRGGFT-DTQAZKPQSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
116.36
TPSA
59.16
LogP / Solubility
WLOGP
5.1
MLOGP
4.51
XLogP3
4.5
Consensus LogP
4.7
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501
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