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CAS 1160246-89-8 1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1160246-89-8

1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016066
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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: 1g
  • 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 1160246-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1160246-89-8 / tert-butyl 3-oxo-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

1,1-Dimethylethyl 3-oxo-1-oxa-7-azaspiro[4.5]decane-7-carboxylate | 1,1-Dimethylethyl 3-oxo-1-oxa-7-azaspiro(4.5)decane-7-carboxylate | RefChem:213893

Standard CAS: 1160246-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160246-89-8
Multi CAS
Yes
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(=O)CO2
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-5-13(9-14)7-10(15)8-17-13/h4-9H2,1-3H3
InChIKey
FYSJPKBXFXYASC-UHFFFAOYSA-N
Synonyms
1,1-Dimethylethyl 3-oxo-1-oxa-7-azaspiro[4.5]decane-7-carboxylate 1,1-Dimethylethyl 3-oxo-1-oxa-7-azaspiro(4.5)decane-7-carboxylate RefChem:213893 3-Oxo-1-oxa-7-aza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester TERT-BUTYL 3-OXO-1-OXA-7-AZASPIRO[4.5]DECANE-7-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.35
TPSA
55.84

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
0.9
Consensus LogP
1.4
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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