CAS RN: 1448428-04-3

Selonsertib

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 100mg In stock Shanghai Inquiry
Batchno.20250429 10mg In stock Shanghai Inquiry
Batchno.20250627 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260127 1mg In stock Shanghai Inquiry
Batchno.20251108 250mg In stock Shanghai Inquiry
Batchno.20260218 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1448428-04-3
  • Purity/Analytical Methods: >99.0%
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1448428-04-3 / 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

Standard CAS: 1448428-04-3 Multi CAS: No

Basic Information

CAS
1448428-04-3
Multi CAS
No
Molecular Formula
C24H24FN7O
Molecular Weight
445.500000
Exact Mass
445.202637
SMILES
CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F
InChI
InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
InChIKey
YIDDLAAKOYYGJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
121.83
TPSA
90.52

LogP / Solubility

WLOGP
4.68
MLOGP
4.15
XLogP3
2.7
Consensus LogP
3.84
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501

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