![CAS 668275-94-3 2,2-Difluoro-benzo[1,3]dioxole-4-carbonyl bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/668275-94-3.png)
CAS RN: 668275-94-3
2,2-Difluoro-benzo[1,3]dioxole-4-carbonyl bromide
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.20260125 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND888063
668275-94-3 / 2-bromo-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone
Basic Information
CAS
668275-94-3
Multi CAS
Yes
Molecular Formula
BC9H5O3Rf2
Molecular Weight
279.030000
Exact Mass
277.939010
InChI
InChI=1S/C9H5BrF2O3/c10-4-6(13)5-2-1-3-7-8(5)15-9(11,12)14-7/h1-3H,4H2
InChIKey
ZDMUOBYSGZZBDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.77
TPSA
35.53
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
3
Consensus LogP
2.62
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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