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CAS 5805-63-0 5-tert-Butyl-2-ethyl-1H-benzimidazole molecular structure lightbox
CAS RN: 5805-63-0

5-tert-Butyl-2-ethyl-1H-benzimidazole

  • Product code: SSC-166263
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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 5805-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

5805-63-0 / 6-tert-butyl-2-ethyl-1H-benzimidazole

Standard CAS: 5805-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5805-63-0
Multi CAS
No
Molecular Formula
C13H18N2
Molecular Weight
202.300000
Exact Mass
202.146999
InChI
InChI=1S/C13H18N2/c1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12/h6-8H,5H2,1-4H3,(H,14,15)
InChIKey
CLKWONXWXDWMSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.17
TPSA
28.68

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
4
Consensus LogP
3.48
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.52

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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