CAS RN: 1256556-22-5
2-TERT-BUTYL-4-MORPHOLINOQUINAZOLINE
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.20250530 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256556-22-5
- Purity/Analytical Methods: >99.0%
1256556-22-5 / 4-(2-tert-butylquinazolin-4-yl)morpholine
Basic Information
CAS
1256556-22-5
Multi CAS
No
Molecular Formula
C16H21N3O
Molecular Weight
271.360000
Exact Mass
271.168462
SMILES
CC(C)(C)C1=NC2=CC=CC=C2C(=N1)N3CCOCC3
InChI
InChI=1S/C16H21N3O/c1-16(2,3)15-17-13-7-5-4-6-12(13)14(18-15)19-8-10-20-11-9-19/h4-7H,8-11H2,1-3H3
InChIKey
QKEXILUDHKJXTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.27
TPSA
38.25
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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