CAS RN: 679839-39-5
4-Bromo-2-fluoro-5-nitrobenzenecarbaldehyde
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-177719
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
679839-39-5 / 4-bromo-2-fluoro-5-nitrobenzaldehyde
Basic Information
CAS
679839-39-5
Multi CAS
No
Molecular Formula
BC7H3NO3Rf
Molecular Weight
248.010000
Exact Mass
246.928030
InChI
InChI=1S/C7H3BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H
InChIKey
ZAROJBMUUUKZBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.14
TPSA
60.21
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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