![CAS 1330765-30-4 Tert-Butyl 7-Bromo-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1330765-30-4.gif)
CAS RN: 1330765-30-4
Tert-Butyl 7-Bromo-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-039764
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: 0.05g, 0.1g, 0.25g, 1g, 5g
- 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 |
|---|---|---|---|---|
| 0.05g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1330765-30-4 / tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Basic Information
CAS
1330765-30-4
Multi CAS
No
Molecular Formula
C11H18BrNO3
Molecular Weight
292.170000
Exact Mass
291.047010
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)Br
InChI
InChI=1S/C11H18BrNO3/c1-10(2,3)16-9(14)13-6-11(7-13)4-8(12)5-15-11/h8H,4-7H2,1-3H3
InChIKey
BFMNMRHGKNUVSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.82
TPSA
38.77
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
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
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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