![CAS 1257996-82-9 2-BroMo-5,8-dioxaspiro[3.4]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257996-82-9.gif)
CAS RN: 1257996-82-9
2-BroMo-5,8-dioxaspiro[3.4]octane
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
- Product code: SSC-031114
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, 0.1g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 | >97% | 2 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1257996-82-9 / 2-bromo-5,8-dioxaspiro[3.4]octane
Basic Information
CAS
1257996-82-9
Multi CAS
No
Molecular Formula
C6H9BrO2
Molecular Weight
193.040000
Exact Mass
191.978590
SMILES
C1COC2(O1)CC(C2)Br
InChI
InChI=1S/C6H9BrO2/c7-5-3-6(4-5)8-1-2-9-6/h5H,1-4H2
InChIKey
ROJASEXNUCZUED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
36.58
TPSA
18.46
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1
Consensus LogP
1.14
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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