![CAS 1216862-84-8 [(5-Fluoro-1H-benzimidazol-2-yl)methyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92556131.gif)
CAS RN: 1216862-84-8
[(5-Fluoro-1H-benzimidazol-2-yl)methyl]amine dihydrochloride
- Product code: SSC-024322
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1216862-84-8 / (6-fluoro-1H-benzimidazol-2-yl)methanamine;dihydrochloride
Basic Information
CAS
1216862-84-8
Multi CAS
No
Molecular Formula
C8H10Cl2FN3
Molecular Weight
238.090000
Exact Mass
237.023581
SMILES
C1=CC2=C(C=C1F)NC(=N2)CN.Cl.Cl
InChI
InChI=1S/C8H8FN3.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4,10H2,(H,11,12);2*1H
InChIKey
BNAYMHMLRWAORU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.44
TPSA
54.7
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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