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CAS 3671-65-6 6-Methoxy-2-(trifluoromethyl)benzimidazole molecular structure lightbox
CAS RN: 3671-65-6

6-Methoxy-2-(trifluoromethyl)benzimidazole

  • Product code: SSC-143937
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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: ＞97%
  • 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 3671-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

3671-65-6 / 6-methoxy-2-(trifluoromethyl)-1H-benzimidazole

Standard CAS: 3671-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3671-65-6
Multi CAS
No
Molecular Formula
C9F3H7N2O
Molecular Weight
216.160000
Exact Mass
216.051047
InChI
InChI=1S/C9H7F3N2O/c1-15-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey
GPYQJBAVCKSQTJ-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
1
Molar refractivity
47.65
TPSA
37.91

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.2

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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