CAS RN: 336119-88-1
2-(1-Amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4(3H)-one
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.20250701 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS336119-88-1
- Purity/Analytical Methods: >99.0%
336119-88-1 / 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
Basic Information
CAS
336119-88-1
Multi CAS
No
Molecular Formula
C19H20CLN3O
Molecular Weight
341.800000
Exact Mass
341.129490
InChI
InChI=1S/C19H20ClN3O/c1-12(2)17(21)18-22-16-10-14(20)8-9-15(16)19(24)23(18)11-13-6-4-3-5-7-13/h3-10,12,17H,11,21H2,1-2H3
InChIKey
OWYDWUOOPZRGNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.32
TPSA
60.91
LogP / Solubility
WLOGP
3.75
MLOGP
3.32
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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