CAS RN: 847502-88-9
2,4-DIFLUORO-3-METHYLBENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS847502-88-9
- Purity/Analytical Methods: >99.0%
847502-88-9 / 2,4-difluoro-3-methylbenzaldehyde
Basic Information
CAS
847502-88-9
Multi CAS
No
Molecular Formula
C8F2H6O
Molecular Weight
156.130000
Exact Mass
156.038671
InChI
InChI=1S/C8H6F2O/c1-5-7(9)3-2-6(4-11)8(5)10/h2-4H,1H3
InChIKey
MPOSIFXAXWZQED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.48
TPSA
17.07
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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