CAS RN: 1393330-36-3
Tert-Butyl 3-(2-bromoethoxy)propanoate
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260619 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250901 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251109 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260425 | 5g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
- Product code: SSC-049783
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, 0.25g, 1g, 5g, 0.1g, 25g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 10g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1393330-36-3 / tert-butyl 3-(2-bromoethoxy)propanoate
Basic Information
CAS
1393330-36-3
Multi CAS
No
Molecular Formula
C9H17BrO3
Molecular Weight
253.130000
Exact Mass
252.036110
SMILES
CC(C)(C)OC(=O)CCOCCBr
InChI
InChI=1S/C9H17BrO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7H2,1-3H3
InChIKey
KRGOEVTUVNSLIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
55.08
TPSA
35.53
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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