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CAS 87941-55-7 4-BROMO-1-TRITYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 87941-55-7

4-BROMO-1-TRITYL-1H-IMIDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-198319
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 87941-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

87941-55-7 / 4-bromo-1-tritylimidazole

Standard CAS: 87941-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87941-55-7
Multi CAS
No
Molecular Formula
BC22H17Rn2
Molecular Weight
389.300000
Exact Mass
388.057510
InChI
InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
BSQFJBYJUQJNMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
104.53
TPSA
17.82

LogP / Solubility

WLOGP
5.49
MLOGP
4.85
XLogP3
5.8
Consensus LogP
5.38
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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