CAS RN: 4863-91-6
3-Chloro-5-fluoroaniline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251123 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-155320
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: 1g, 5g, 10g, 25g
- Available purity: ≥98%
- 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.
4863-91-6 / 3-chloro-5-fluoroaniline
Basic Information
CAS
4863-91-6
Multi CAS
No
Molecular Formula
C6H5CLFN
Molecular Weight
145.560000
Exact Mass
145.009455
InChI
InChI=1S/C6H5ClFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
LPIFAHAICWJMRR-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
35.82
TPSA
26.02
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.14
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
