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CAS 2006277-24-1 2-(Hydroxymethyl)-5-(tert-butyl)benzimidazole molecular structure lightbox
CAS RN: 2006277-24-1

2-(Hydroxymethyl)-5-(tert-butyl)benzimidazole

  • Product code: SSC-094477
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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 2006277-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2006277-24-1 / (6-tert-butyl-1H-benzimidazol-2-yl)methanol

Standard CAS: 2006277-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-24-1
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(N2)CO
InChI
InChI=1S/C12H16N2O/c1-12(2,3)8-4-5-9-10(6-8)14-11(7-15)13-9/h4-6,15H,7H2,1-3H3,(H,13,14)
InChIKey
LFAANLXFJBEWPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.72
TPSA
48.91

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.3

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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