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CAS 191158-31-3 [2-(4-Fluoro-phenyl)-1H-imidazol-4-yl]-methanol molecular structure lightbox
CAS RN: 191158-31-3

[2-(4-Fluoro-phenyl)-1H-imidazol-4-yl]-methanol

  • Product code: SSC-089574
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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 191158-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

191158-31-3 / [2-(4-fluorophenyl)-1H-imidazol-5-yl]methanol

Standard CAS: 191158-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191158-31-3
Multi CAS
No
Molecular Formula
C10H9FN2O
Molecular Weight
192.190000
Exact Mass
192.069891
SMILES
C1=CC(=CC=C1C2=NC=C(N2)CO)F
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-12-5-9(6-14)13-10/h1-5,14H,6H2,(H,12,13)
InChIKey
VSSRQWLMZUGXRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.9
TPSA
48.91

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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