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CAS 945021-19-2 1-Cyclopropyl-1H-benzoimidazol-2-ylamine molecular structure lightbox
CAS RN: 945021-19-2

1-Cyclopropyl-1H-benzoimidazol-2-ylamine

  • Product code: SSC-209564
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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 945021-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

945021-19-2 / 1-cyclopropylbenzimidazol-2-amine

Standard CAS: 945021-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945021-19-2
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
InChI
InChI=1S/C10H11N3/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-6-7/h1-4,7H,5-6H2,(H2,11,12)
InChIKey
ZHOYGOVZAALSPT-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
52.42
TPSA
43.84

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.4
Consensus LogP
1.69
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.39

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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