CAS RN: 2460-58-4
2-HYDROXY-4-NITRO-BENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-119415
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, 1g, 100g
- Available purity: >97%
- Inventory rows with stock: 10
- 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 | -- | 4 In Stock | Shenzhen | Inquiry |
| 10g | -- | 4 In Stock | Hong Kong | Inquiry |
| 25g | -- | 3 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
2460-58-4 / 2-hydroxy-4-nitrobenzaldehyde
Basic Information
CAS
2460-58-4
Multi CAS
No
Molecular Formula
C7H5NO4
Molecular Weight
167.120000
Exact Mass
167.021858
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)C=O
InChI
InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H
InChIKey
HHDPXULKSZZACU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.15
TPSA
80.44
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
2
Consensus LogP
1.36
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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
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