CAS RN: 1388074-82-5
2H-Benzimidazol-2-one, 4-bromo-7-fluoro-1,3-dihydro-
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.20260110 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1388074-82-5
- Purity/Analytical Methods: >99.0%
1388074-82-5 / 4-bromo-7-fluoro-1,3-dihydrobenzimidazol-2-one
Basic Information
CAS
1388074-82-5
Multi CAS
No
Molecular Formula
C7H4BrFN2O
Molecular Weight
231.020000
Exact Mass
229.949100
SMILES
C1=CC(=C2C(=C1F)NC(=O)N2)Br
InChI
InChI=1S/C7H4BrFN2O/c8-3-1-2-4(9)6-5(3)10-7(12)11-6/h1-2H,(H2,10,11,12)
InChIKey
LGZAKFPREYNCRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.58
TPSA
48.65
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.88
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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