![CAS 869188-52-3 5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869188-52-3.gif)
CAS RN: 869188-52-3
5-Bromo-6-chloro-2,2-difluorobenzo[d][1,3]dioxole
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.20260216 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS869188-52-3
- Purity/Analytical Methods: >99.0%
869188-52-3 / 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole
Basic Information
CAS
869188-52-3
Multi CAS
No
Molecular Formula
C7H2BRCLF2O2
Molecular Weight
271.440000
Exact Mass
269.889480
InChI
InChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKey
XTQZJIDYGRBKKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
45.36
TPSA
18.46
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.41
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.94
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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