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CAS 6758-34-5 2-(HYDROXYMETHYL)-5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 6758-34-5

2-(HYDROXYMETHYL)-5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE

  • Product code: SSC-177269
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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: 5g
  • 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 6758-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

6758-34-5 / [6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol

Standard CAS: 6758-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6758-34-5
Multi CAS
No
Molecular Formula
C9F3H7N2O
Molecular Weight
216.160000
Exact Mass
216.051047
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(4-15)13-6/h1-3,15H,4H2,(H,13,14)
InChIKey
UHYXPZNNZRASOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.02
TPSA
48.91

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

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

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