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CAS 933697-27-9 1H-Benzimidazol-7-ol, 2-(2-aminoethyl)- molecular structure lightbox
CAS RN: 933697-27-9

1H-Benzimidazol-7-ol, 2-(2-aminoethyl)-

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg Out of stock Inquiry
Batchno.20260404 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20251222 1g Out of stock Inquiry
Batchno.20260217 250mg Out of stock Inquiry
  • Product code: starshine_CAS933697-27-9
  • Purity/Analytical Methods: >99.0%
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933697-27-9 / 2-(2-aminoethyl)-1H-benzimidazol-4-ol

Standard CAS: 933697-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933697-27-9
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c10-5-4-8-11-6-2-1-3-7(13)9(6)12-8/h1-3,13H,4-5,10H2,(H,11,12)
InChIKey
FHDGDZMBOVXTAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.52
TPSA
74.93

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.4
Consensus LogP
0.61
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

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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