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, 1000g
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Beijing | Inquiry |
| 500g | -- | 2 In Stock | Beijing | Inquiry |
| 500g | >97% | 2 In Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
875-51-4 / 4-bromo-2-nitroaniline
Basic Information
CAS
875-51-4
Multi CAS
Yes
Molecular Formula
BC6H5O2Rn2
Molecular Weight
217.020000
Exact Mass
215.953440
InChI
InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey
ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.21
TPSA
69.16
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.67
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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N-Methylpentylamine
- CAS RN: 25419-06-1
- Product Code: ICTM2231
- Purity/Analytical method: >98.0%(GC)(T)
