CAS RN: 52200-69-8
3-Bromo-2-methoxytoluene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-159301
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | -- | 2 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Shanghai | Inquiry |
52200-69-8 / 1-bromo-2-methoxy-3-methylbenzene
Basic Information
CAS
52200-69-8
Multi CAS
No
Molecular Formula
C8H9BRO
Molecular Weight
201.060000
Exact Mass
199.983680
InChI
InChI=1S/C8H9BrO/c1-6-4-3-5-7(9)8(6)10-2/h3-5H,1-2H3
InChIKey
VUIUOSKXGNEORM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.43
TPSA
9.23
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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