CAS RN: 852433-84-2
Dovitinib Dilactic acid (TKI258 Dilactic acid)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS852433-84-2
- Purity/Analytical Methods: >99.0%
852433-84-2 / 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;2-hydroxypropanoic acid
Basic Information
CAS
852433-84-2
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/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6)
InChIKey
ZRHDKBOBHHFLBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
19
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
133.05
TPSA
151.57
LogP / Solubility
WLOGP
2
MLOGP
1.79
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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