![CAS 478963-46-1 2(1H)-QUINAZOLINONE, 1-(1-METHYLETHYL)-4-[4-(1-METHYLETHYL)PHENYL]-6-(2-PROPYN-1-YLAMINO)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478963-46-1.gif)
CAS RN: 478963-46-1
2(1H)-QUINAZOLINONE, 1-(1-METHYLETHYL)-4-[4-(1-METHYLETHYL)PHENYL]-6-(2-PROPYN-1-YLAMINO)-
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.20250601 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS478963-46-1
- Purity/Analytical Methods: >99.0%
478963-46-1 / 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-ynylamino)quinazolin-2-one
Basic Information
CAS
478963-46-1
Multi CAS
No
Molecular Formula
C23H25N3O
Molecular Weight
359.500000
Exact Mass
359.199762
InChI
InChI=1S/C23H25N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16,24H,13H2,2-5H3
InChIKey
QWJVHLKUOSQDLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113.24
TPSA
46.92
LogP / Solubility
WLOGP
4.81
MLOGP
4.25
XLogP3
4.9
Consensus LogP
4.65
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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