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CAS 1160247-06-2 tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate molecular structure lightbox
CAS RN: 1160247-06-2

tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate

  • Product code: SSC-016077
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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
  • Available purity: >95%
  • 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 1160247-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1160247-06-2 / tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate

tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate | DTXSID20719162 | tert-butyl 1-oxa-4,8-diazaspiro(5.5)undecane-8-carboxylate

Standard CAS: 1160247-06-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160247-06-2
Multi CAS
Yes
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CCCNC2
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-8-17-13(10-15)5-4-6-14-9-13/h14H,4-10H2,1-3H3
InChIKey
WPWQOZQQBMPUIV-UHFFFAOYSA-N
Synonyms
tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate DTXSID20719162 tert-butyl 1-oxa-4,8-diazaspiro(5.5)undecane-8-carboxylate RefChem:892105 DTXCID90669908

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.59
TPSA
50.8

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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