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CAS 90868-11-4 1H-Benzimidazole,5-methoxy-4-methyl-(9CI) molecular structure lightbox
CAS RN: 90868-11-4

1H-Benzimidazole,5-methoxy-4-methyl-(9CI)

  • Product code: SSC-203549
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90868-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

90868-11-4 / 5-methoxy-4-methyl-1H-benzimidazole

Standard CAS: 90868-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90868-11-4
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c1-6-8(12-2)4-3-7-9(6)11-5-10-7/h3-5H,1-2H3,(H,10,11)
InChIKey
AATWEYWNIHXOFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.38
TPSA
37.91

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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