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CAS 1158749-94-0 tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate molecular structure lightbox
CAS RN: 1158749-94-0

tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 100mg In stock Shanghai Inquiry
Batchno.20251006 10g In stock Shanghai Inquiry
Batchno.20251202 1g In stock Shanghai Inquiry
Batchno.20250425 250mg In stock Shanghai Inquiry
Batchno.20260621 25g In stock Shanghai Inquiry
Batchno.20250111 5g In stock Shanghai, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-015636
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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 1158749-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1158749-94-0 / tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate

tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate | DTXSID00745368 | tert-Butyl 2-oxo-1,8-diazaspiro(4.5)decane-8-carboxylate

Standard CAS: 1158749-94-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158749-94-0
Multi CAS
No
Molecular Formula
C13H22N2O3
Molecular Weight
254.330000
Exact Mass
254.163043
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(=O)N2)CC1
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-6-13(7-9-15)5-4-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
MHBGZEDGKJRVPB-UHFFFAOYSA-N
Synonyms
tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate DTXSID00745368 tert-Butyl 2-oxo-1,8-diazaspiro(4.5)decane-8-carboxylate RefChem:892663 DTXCID30696112

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.15
TPSA
58.64

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
0.9
Consensus LogP
1.35
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): 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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