CAS RN: 2091625-61-3
2,2-dibromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
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.20250606 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2091625-61-3
- Purity/Analytical Methods: >99.0%
2091625-61-3 / 2,2-dibromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
Basic Information
CAS
2091625-61-3
Multi CAS
No
Molecular Formula
C11H9Br2FO
Molecular Weight
335.990000
Exact Mass
335.898370
SMILES
C1CC1C(=O)C(C2=CC=CC=C2F)(Br)Br
InChI
InChI=1S/C11H9Br2FO/c12-11(13,10(15)7-5-6-7)8-3-1-2-4-9(8)14/h1-4,7H,5-6H2
InChIKey
SLRGMZFYOJZEBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
63.66
TPSA
17.07
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
3.7
Consensus LogP
3.59
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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