CAS RN: 1619911-80-6
2-bromo-1-(3,3-difluorocyclobutyl)ethan-1-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-069470
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 5g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1619911-80-6 / 2-bromo-1-(3,3-difluorocyclobutyl)ethanone
Basic Information
CAS
1619911-80-6
Multi CAS
No
Molecular Formula
C6H7BrF2O
Molecular Weight
213.020000
Exact Mass
211.964830
SMILES
C1C(CC1(F)F)C(=O)CBr
InChI
InChI=1S/C6H7BrF2O/c7-3-5(10)4-1-6(8,9)2-4/h4H,1-3H2
InChIKey
UBHDFQFSCXCDCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
36.47
TPSA
17.07
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.6
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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