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CAS 356068-99-0 Sunitinib N-Oxide molecular structure lightbox
CAS RN: 356068-99-0

Sunitinib N-Oxide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS356068-99-0
  • Purity/Analytical Methods: >99.0%
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356068-99-0 / N,N-diethyl-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethanamine oxide

Standard CAS: 356068-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356068-99-0
Multi CAS
Yes
Molecular Formula
C22FH27N4O3
Molecular Weight
414.500000
Exact Mass
414.206719
InChI
InChI=1S/C22H27FN4O3/c1-5-27(30,6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey
DNCVCKYIYMUMFC-ATVHPVEESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
115.08
TPSA
97.05

LogP / Solubility

WLOGP
3.35
MLOGP
2.97
XLogP3
2.1
Consensus LogP
2.81
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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