CAS RN: 401567-11-1
2H-Benzimidazol-2-one,5-fluoro-1,3-dihydro-1-methyl-(9CI)
- Product code: SSC-148169
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 |
401567-11-1 / 6-fluoro-3-methyl-1H-benzimidazol-2-one
Basic Information
CAS
401567-11-1
Multi CAS
No
Molecular Formula
C8FH7N2O
Molecular Weight
166.150000
Exact Mass
166.054241
InChI
InChI=1S/C8H7FN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
KUDXFSXOKPNJAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.5
TPSA
37.79
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-3.02
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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