CAS RN: 348133-47-1
1H-Benzimidazole,2-chloro-6-fluoro-1-methyl-(9CI)
- Product code: SSC-141455
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 | Beijing | Inquiry |
348133-47-1 / 2-chloro-6-fluoro-1-methylbenzimidazole
Basic Information
CAS
348133-47-1
Multi CAS
No
Molecular Formula
C8H6CLFN2
Molecular Weight
184.600000
Exact Mass
184.020354
InChI
InChI=1S/C8H6ClFN2/c1-12-7-4-5(10)2-3-6(7)11-8(12)9/h2-4H,1H3
InChIKey
MUCNEUNXMXSEPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
45.68
TPSA
17.82
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.17
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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