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CAS 116795-55-2 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone molecular structure lightbox
CAS RN: 116795-55-2

1-(1-Trityl-1H-iMidazol-4-yl)-ethanone

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-016702
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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: 1g
  • 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 116795-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

116795-55-2 / 1-(1-tritylimidazol-4-yl)ethanone

1-(1-trityl-1H-imidazol-4-yl)ethanone | 1-(1-Trityl-1H-imidazol-4-yl)-ethanone | 1-(1-tritylimidazol-4-yl)ethanone

Standard CAS: 116795-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116795-55-2
Multi CAS
No
Molecular Formula
C24H20N2O
Molecular Weight
352.400000
Exact Mass
352.157563
SMILES
CC(=O)C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O/c1-19(27)23-17-26(18-25-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKey
CXHBDLBUHRTUCX-UHFFFAOYSA-N
Synonyms
1-(1-trityl-1H-imidazol-4-yl)ethanone 1-(1-Trityl-1H-imidazol-4-yl)-ethanone 1-(1-tritylimidazol-4-yl)ethanone MFCD17215519 Ethanone, 1-[1-(triphenylmethyl)-1H-imidazol-4-yl]-

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
106.84
TPSA
34.89

LogP / Solubility

WLOGP
4.93
MLOGP
4.35
XLogP3
4.8
Consensus LogP
4.69
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
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)
-1.37

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
3

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