CAS RN: 77337-82-7
2-Bromo-5-nitroanisole
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
- Product code: SSC-186871
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: 10g, 5g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 10g | -- | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Beijing | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
77337-82-7 / 1-bromo-2-methoxy-4-nitrobenzene
Basic Information
CAS
77337-82-7
Multi CAS
Yes
Molecular Formula
BC7H6O3Rn
Molecular Weight
232.030000
Exact Mass
230.953110
InChI
InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
NTKADLOYTKVXQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.35
TPSA
52.37
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.46
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
