CAS RN: 4519-40-8
2,3-Difluoroaniline
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.20250326 | 1g / 5g / 25g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-152983
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
4519-40-8 / 2,3-difluoroaniline
Basic Information
CAS
4519-40-8
Multi CAS
No
Molecular Formula
C6F2H5N
Molecular Weight
129.110000
Exact Mass
129.039005
InChI
InChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey
YCCQGFYAVUTQFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.77
TPSA
26.02
LogP / Solubility
WLOGP
1.55
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-2.41
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
Customers Also Viewed
-
-
N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
- CAS RN: 362670-07-3
- Product Code: SSC-143451
-
-
-
-
