![CAS 89819-42-1 2,2-Difluoro-benzo[1,3]dioxole-4-sulfonyl chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89819-42-1.gif)
CAS RN: 89819-42-1
2,2-Difluoro-benzo[1,3]dioxole-4-sulfonyl chloride
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.20260102 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS89819-42-1
- Purity/Analytical Methods: >99.0%
89819-42-1 / 2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
Basic Information
CAS
89819-42-1
Multi CAS
No
Molecular Formula
C7H3CLF2O4S
Molecular Weight
256.610000
Exact Mass
255.940864
InChI
InChI=1S/C7H3ClF2O4S/c8-15(11,12)5-3-1-2-4-6(5)14-7(9,10)13-4/h1-3H
InChIKey
RSCUQVIKWLIGNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.68
TPSA
52.6
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
2.5
Consensus LogP
2.05
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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