![CAS 1290541-46-6 3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1290541-46-6.gif)
CAS RN: 1290541-46-6
3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinone
Product Availability
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12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251024 | 10mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250318 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20251207 | 25mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260105 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260218 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260406 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1290541-46-6
- Purity/Analytical Methods: >99.0%
1290541-46-6 / 3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Basic Information
CAS
1290541-46-6
Multi CAS
No
Molecular Formula
C22H17N3O
Molecular Weight
339.400000
Exact Mass
339.137162
SMILES
C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CN=CC=C4
InChI
InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
InChIKey
GEKDQXSPTHHANP-OUKQBFOZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
104.71
TPSA
47.78
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.4
Consensus LogP
3.65
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS 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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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