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CAS 1138033-98-3 2-(2-Fluorophenyl)-1H-imidazole-5-carbaldehyde molecular structure lightbox
CAS RN: 1138033-98-3

2-(2-Fluorophenyl)-1H-imidazole-5-carbaldehyde

  • Product code: SSC-013799
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 1138033-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

1138033-98-3 / 2-(2-fluorophenyl)-1H-imidazole-5-carbaldehyde

2-(2-Fluorophenyl)-1H-imidazole-5-carbaldehyde | MFCD28522964 | 2-(2-fluorophenyl)-1H-imidazole-4-carbaldehyde

Standard CAS: 1138033-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138033-98-3
Multi CAS
No
Molecular Formula
C10H7FN2O
Molecular Weight
190.170000
Exact Mass
190.054241
SMILES
C1=CC=C(C(=C1)C2=NC=C(N2)C=O)F
InChI
InChI=1S/C10H7FN2O/c11-9-4-2-1-3-8(9)10-12-5-7(6-14)13-10/h1-6H,(H,12,13)
InChIKey
UQUCXRMOQAAHEU-UHFFFAOYSA-N
Synonyms
2-(2-Fluorophenyl)-1H-imidazole-5-carbaldehyde MFCD28522964 2-(2-fluorophenyl)-1H-imidazole-4-carbaldehyde 2-(2-fluorophenyl)-1H-imidazole-5-carboxaldehyde SCHEMBL3699501

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.37
TPSA
45.75

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

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

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