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CAS 356068-97-8 N-Desethyl Sunitinib molecular structure lightbox
CAS RN: 356068-97-8

N-Desethyl Sunitinib

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS356068-97-8
  • Purity/Analytical Methods: >99.0%
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356068-97-8 / N-[2-(ethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Standard CAS: 356068-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356068-97-8
Multi CAS
Yes
Molecular Formula
C20FH23N4O2
Molecular Weight
370.400000
Exact Mass
370.180504
InChI
InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-
InChIKey
LIZNIAKSBJKPQC-GDNBJRDFSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
104.04
TPSA
86.02

LogP / Solubility

WLOGP
2.6
MLOGP
2.31
XLogP3
1.8
Consensus LogP
2.24
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-3.13

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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