CAS RN: 703-63-9
2,4-Dimethylquinazoline
Product Availability
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3 package records2 with current stock1 grade group
- Product code: LIND895818
703-63-9 / 2,4-dimethylquinazoline
Basic Information
CAS
703-63-9
Multi CAS
Yes
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
InChI
InChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)12-8(2)11-7/h3-6H,1-2H3
InChIKey
VDYFFXPVIBDLOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
49.01
TPSA
25.78
LogP / Solubility
WLOGP
2.25
MLOGP
1.97
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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