CAS RN: 692737-80-7

Dovitinib Lactate

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  • Product code: starshine_CAS692737-80-7
  • Purity/Analytical Methods: >99.0%
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692737-80-7 / 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4aH-quinolin-2-one;2-hydroxypropanoic acid

Standard CAS: 692737-80-7 Multi CAS: Yes

Basic Information

CAS
692737-80-7
Multi CAS
Yes
Molecular Formula
C24FH27N6O4
Molecular Weight
482.500000
Exact Mass
482.207782
InChI
InChI=1S/C21H21FN6O.C3H6O3/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6/h2-6,11,17H,7-10,23H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)
InChIKey
GPRXNCDNDDAQEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
130.49
TPSA
148.14

LogP / Solubility

WLOGP
1.46
MLOGP
1.32
XLogP3
1.46
Consensus LogP
1.41
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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