CAS RN: 470458-51-6
N-Methyl 3,5-difluoroaniline
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.20250916 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS470458-51-6
- Purity/Analytical Methods: >99.0%
470458-51-6 / 3,5-difluoro-N-methylaniline
Basic Information
CAS
470458-51-6
Multi CAS
Yes
Molecular Formula
C7F2H7N
Molecular Weight
143.130000
Exact Mass
143.054656
InChI
InChI=1S/C7H7F2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKey
RVLAHRBSGLXXPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.9
TPSA
12.03
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.17
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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