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CAS 1505508-34-8 4,6-Difluoro-2-(hydroxymethyl)benzimidazole molecular structure lightbox
CAS RN: 1505508-34-8

4,6-Difluoro-2-(hydroxymethyl)benzimidazole

  • Product code: SSC-060495
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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 1505508-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1505508-34-8 / (4,6-difluoro-1H-benzimidazol-2-yl)methanol

Standard CAS: 1505508-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1505508-34-8
Multi CAS
No
Molecular Formula
C8H6F2N2O
Molecular Weight
184.140000
Exact Mass
184.044819
SMILES
C1=C(C=C(C2=C1NC(=N2)CO)F)F
InChI
InChI=1S/C8H6F2N2O/c9-4-1-5(10)8-6(2-4)11-7(3-13)12-8/h1-2,13H,3H2,(H,11,12)
InChIKey
QGHBHXMWVTYWOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.93
TPSA
48.91

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.9

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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