CAS RN: 394222-91-4
1H-Benzimidazole-2-methanamine,4,6-difluoro-(9CI)
- Product code: SSC-147086
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
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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
394222-91-4 / (4,6-difluoro-1H-benzimidazol-2-yl)methanamine
Basic Information
CAS
394222-91-4
Multi CAS
No
Molecular Formula
C8F2H7N3
Molecular Weight
183.160000
Exact Mass
183.060804
InChI
InChI=1S/C8H7F2N3/c9-4-1-5(10)8-6(2-4)12-7(3-11)13-8/h1-2H,3,11H2,(H,12,13)
InChIKey
XGMHFIJWQYAMMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.9
TPSA
54.7
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
0.6
Consensus LogP
1.01
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.91
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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