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CAS 30148-23-3 2,2,2-trichloro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one molecular structure lightbox
CAS RN: 30148-23-3

2,2,2-trichloro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

  • Product code: SSC-133839
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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, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 30148-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 5 In Stock Shanghai Inquiry

30148-23-3 / 2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone

Standard CAS: 30148-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30148-23-3
Multi CAS
No
Molecular Formula
C6H5CL3N2O
Molecular Weight
227.500000
Exact Mass
225.946746
InChI
InChI=1S/C6H5Cl3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3
InChIKey
MODGUAUPMUUXLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.83
TPSA
34.89

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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