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CAS 1225276-07-2 tert-butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate molecular structure lightbox
CAS RN: 1225276-07-2

tert-butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260318 100mg In stock Shanghai Inquiry
Batchno.20250909 10g Out of stock Inquiry
Batchno.20250508 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260319 250mg In stock Shanghai Inquiry
Batchno.20250808 25g In stock Shanghai Inquiry
Batchno.20250925 5g In stock Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025470
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1225276-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1225276-07-2 / tert-butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate

Standard CAS: 1225276-07-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1225276-07-2
Multi CAS
No
Molecular Formula
C13H22BrNO2
Molecular Weight
304.220000
Exact Mass
303.083390
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)Br
InChI
InChI=1S/C13H22BrNO2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(14)9-13/h10H,4-9H2,1-3H3
InChIKey
GACABBWTCSUAEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.42
TPSA
29.54

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3
Consensus LogP
3.24
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

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
2.5

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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