CAS RN: 201299-82-3
1H-Benzimidazol-2-amine,1-(2-propenyl)-(9CI)
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.20250606 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS201299-82-3
- Purity/Analytical Methods: >99.0%
201299-82-3 / 1-prop-2-enylbenzimidazol-2-amine
Basic Information
CAS
201299-82-3
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
SMILES
C=CCN1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C10H11N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h2-6H,1,7H2,(H2,11,12)
InChIKey
IHSYLRPDGCJGNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.34
TPSA
43.84
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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