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CAS 90871-47-9 1H-Benzimidazol-2-amine,1-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 90871-47-9

1H-Benzimidazol-2-amine,1-(1-methylethyl)-(9CI)

  • Product code: SSC-203559
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 90871-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

90871-47-9 / 1-propan-2-ylbenzimidazol-2-amine

Standard CAS: 90871-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90871-47-9
Multi CAS
No
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
InChI
InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)
InChIKey
UDJSHISPNDRJNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.53
TPSA
43.84

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
1.7
Consensus LogP
1.94
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.23

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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