CAS RN: 42564-51-2
4-Fluoro-3-nitrobenzaldehyde
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
- Product code: SSC-150887
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
42564-51-2 / 4-fluoro-3-nitrobenzaldehyde
Basic Information
CAS
42564-51-2
Multi CAS
Yes
Molecular Formula
C7FH4NO3
Molecular Weight
169.110000
Exact Mass
169.017521
InChI
InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKey
ILKWFRCNNILIJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.44
TPSA
60.21
LogP / Solubility
WLOGP
1.55
MLOGP
1.36
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.65
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
