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, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 1
- 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% | 4 In Stock | Beijing | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
446-59-3 / 2-bromo-1-fluoro-3-methoxybenzene
Basic Information
CAS
446-59-3
Multi CAS
No
Molecular Formula
BC7H6ORf
Molecular Weight
205.020000
Exact Mass
203.958610
InChI
InChI=1S/C7H6BrFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3
InChIKey
RNUBPKHSQXYYCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.65
TPSA
9.23
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.13
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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HOMOERIODICTYOL
- CAS RN: 446-71-9
- Product Code: starshine_CAS446-71-9
- Purity/Analytical method: >99.0%
