CAS RN: 933585-36-5
3,4-DIFLUORO-N,N-DIMETHYLANILINE
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.20250529 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS933585-36-5
- Purity/Analytical Methods: >99.0%
933585-36-5 / 3,4-difluoro-N,N-dimethylaniline
Basic Information
CAS
933585-36-5
Multi CAS
No
Molecular Formula
C8F2H9N
Molecular Weight
157.160000
Exact Mass
157.070306
InChI
InChI=1S/C8H9F2N/c1-11(2)6-3-4-7(9)8(10)5-6/h3-5H,1-2H3
InChIKey
KCGSFIPMUFBOPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.69
TPSA
3.24
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS933673-33-7
- Purity/Analytical method: >99.0%
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