CAS RN: 288383-86-8

Quinazoline, 4-chloro-7-(phenylmethoxy)-

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  • Product code: starshine_CAS288383-86-8
  • Purity/Analytical Methods: >99.0%
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288383-86-8 / 4-chloro-7-phenylmethoxyquinazoline

Standard CAS: 288383-86-8 Multi CAS: No

Basic Information

CAS
288383-86-8
Multi CAS
No
Molecular Formula
C15H11ClN2O
Molecular Weight
270.710000
Exact Mass
270.055991
InChI
InChI=1S/C15H11ClN2O/c16-15-13-7-6-12(8-14(13)17-10-18-15)19-9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKey
GXBUBKUDKGUCTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.32
TPSA
35.01

LogP / Solubility

WLOGP
3.86
MLOGP
3.41
XLogP3
4
Consensus LogP
3.76
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

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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