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CAS 945526-43-2 [4-t-Butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[4-(1H-imidazol-1-yl)phenyl]- molecular structure lightbox
CAS RN: 945526-43-2

[4-t-Butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[4-(1H-imidazol-1-yl)phenyl]-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS945526-43-2
  • Purity/Analytical Methods: >99.0%
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945526-43-2 / 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

Standard CAS: 945526-43-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
945526-43-2
Multi CAS
Yes
Molecular Formula
C19H21N3O2S
Molecular Weight
355.500000
Exact Mass
355.135448
InChI
InChI=1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3
InChIKey
XQABBHBFHWHMKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.51
TPSA
63.99

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
3.9
Consensus LogP
3.79
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

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

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