CAS RN: 39213-05-3
2-CHLORO-4-(4-MORPHOLINYL)QUINAZOLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS39213-05-3
- Purity/Analytical Methods: >99.0%
39213-05-3 / 4-(2-chloroquinazolin-4-yl)morpholine
Basic Information
CAS
39213-05-3
Multi CAS
No
Molecular Formula
C12H12CLN3O
Molecular Weight
249.690000
Exact Mass
249.066890
InChI
InChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKey
NJBDGZVAZRMIFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.58
TPSA
38.25
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.7
Consensus LogP
2.23
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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1-OXIDE-4-THIOMORPHOLINE
- CAS RN: 39213-13-3
- Product Code: starshine_CAS39213-13-3
- Purity/Analytical method: >99.0%
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