![CAS 68119-30-2 5-(bromomethyl)-2,2-difluorobenzo[d][1,3]dioxole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68119-30-2.gif)
CAS RN: 68119-30-2
5-(bromomethyl)-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.20250417 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS68119-30-2
- Purity/Analytical Methods: >99.0%
68119-30-2 / 5-(bromomethyl)-2,2-difluoro-1,3-benzodioxole
Basic Information
CAS
68119-30-2
Multi CAS
No
Molecular Formula
BC8H5O2Rf2
Molecular Weight
251.020000
Exact Mass
249.944100
InChI
InChI=1S/C8H5BrF2O2/c9-4-5-1-2-6-7(3-5)13-8(10,11)12-6/h1-3H,4H2
InChIKey
AJSFRSHQRVBBKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.28
TPSA
18.46
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.19
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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