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CAS 1160246-85-4 tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate molecular structure lightbox
CAS RN: 1160246-85-4

tert-Butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g / 5g Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260118 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250902 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250821 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250501 5g In stock Shanghai Inquiry
  • Product code: SSC-016063
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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
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1160246-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥98% 1 In Stock Hong Kong Inquiry
1g ≥98% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1160246-85-4 / tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate | DTXSID80719143 | tert-butyl 3-oxo-1-oxa-7-azaspiro(4.4)nonane-7-carboxylate

Standard CAS: 1160246-85-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160246-85-4
Multi CAS
Yes
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)CO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12/h4-8H2,1-3H3
InChIKey
PBIPOVUIKARFCM-UHFFFAOYSA-N
Synonyms
tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate DTXSID80719143 tert-butyl 3-oxo-1-oxa-7-azaspiro(4.4)nonane-7-carboxylate RefChem:893436 DTXCID10669889

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.73
TPSA
55.84

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
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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