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CAS 331770-21-9 Aurora Kinase Inhibitor II molecular structure lightbox
CAS RN: 331770-21-9

Aurora Kinase Inhibitor II

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7 package records7 with current stock1 grade group
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Batchno.20250415 100mg In stock Inquiry
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  • Product code: starshine_CAS331770-21-9
  • Purity/Analytical Methods: >99.0%
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331770-21-9 / N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

Standard CAS: 331770-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331770-21-9
Multi CAS
No
Molecular Formula
C23H20N4O3
Molecular Weight
400.400000
Exact Mass
400.153541
InChI
InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKey
IMYVCWQAHSYYOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.76
TPSA
85.37

LogP / Solubility

WLOGP
4.64
MLOGP
4.11
XLogP3
4.2
Consensus LogP
4.32
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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