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CAS 50257-40-4 1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole molecular structure lightbox
CAS RN: 50257-40-4

1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole

  • Product code: SSC-156671
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 50257-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

50257-40-4 / 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole

Standard CAS: 50257-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50257-40-4
Multi CAS
Yes
Molecular Formula
C18H26N2O2S
Molecular Weight
334.500000
Exact Mass
334.171499
InChI
InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChIKey
AGGRGODMKWLSDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
93.52
TPSA
51.96

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4.6
Consensus LogP
4.35
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
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
No
Log Kp (skin permeation)
-1.57

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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