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: 0.1g, 1g, 5g, 0.25g, 10g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Shanghai | Inquiry |
433213-11-7 / methyl 2-(3-bromopropoxy)acetate
Basic Information
CAS
433213-11-7
Multi CAS
No
Molecular Formula
C6H11BRO3
Molecular Weight
211.050000
Exact Mass
209.989160
InChI
InChI=1S/C6H11BrO3/c1-9-6(8)5-10-4-2-3-7/h2-5H2,1H3
InChIKey
RBLSERPFRLUGLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
41.25
TPSA
35.53
LogP / Solubility
WLOGP
0.96
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
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)
-3.33
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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- CAS RN: 433228-88-7
- Product Code: SSC-151578
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