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CAS 152121-47-6 SB 203580 molecular structure lightbox
CAS RN: 152121-47-6

SB 203580

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 1ml In stock Inquiry
  • Product code: ICTF0864
  • Purity/Analytical Methods: >98.0%(HPLC)
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152121-47-6 / 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

Standard CAS: 152121-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152121-47-6
Multi CAS
No
Molecular Formula
C21H16FN3OS
Molecular Weight
377.400000
Exact Mass
377.099811
SMILES
CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChIKey
CDMGBJANTYXAIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.98
TPSA
58.64

LogP / Solubility

WLOGP
4.68
MLOGP
4.14
XLogP3
3.2
Consensus LogP
4.01
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

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

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