CAS RN: 90868-12-5
5-Benzimidazolol,1-ethyl-(7CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250322 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90868-12-5
- Purity/Analytical Methods: >99.0%
90868-12-5 / 1-ethylbenzimidazol-5-ol
Basic Information
CAS
90868-12-5
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c1-2-11-6-10-8-5-7(12)3-4-9(8)11/h3-6,12H,2H2,1H3
InChIKey
VILUGIZOTYJGDC-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
3
H-bond donors
1
Molar refractivity
47.07
TPSA
38.05
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.46
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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