CAS RN: 38154-42-6
4-CHLORO-2-ISOPROPYL-QUINAZOLINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS38154-42-6
- Purity/Analytical Methods: >99.0%
38154-42-6 / 4-chloro-2-propan-2-ylquinazoline
Basic Information
CAS
38154-42-6
Multi CAS
No
Molecular Formula
C11H11CLN2
Molecular Weight
206.670000
Exact Mass
206.061076
InChI
InChI=1S/C11H11ClN2/c1-7(2)11-13-9-6-4-3-5-8(9)10(12)14-11/h3-7H,1-2H3
InChIKey
NSKTYOPSVDYTOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.64
TPSA
25.78
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
4
Consensus LogP
3.47
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.56
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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