CAS RN: 98775-19-0
1-Bromo-2-methoxy-3-nitro-benzene
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
- Product code: SSC-212830
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: 1g, 25g, 10g, 5g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
98775-19-0 / 1-bromo-2-methoxy-3-nitrobenzene
Basic Information
CAS
98775-19-0
Multi CAS
No
Molecular Formula
BC7H6O3Rn
Molecular Weight
232.030000
Exact Mass
230.953110
InChI
InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChIKey
YAYBLVOBUIXMQY-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
2.4
Consensus LogP
2.29
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
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