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CAS 1194376-44-7 tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate molecular structure lightbox
CAS RN: 1194376-44-7

tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai Inquiry
Batchno.20251223 1g In stock Shanghai Inquiry
Batchno.20250901 250mg In stock Shanghai Inquiry
Batchno.20250921 5g In stock Shanghai Inquiry
  • Product code: SSC-019990
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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 1194376-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1194376-44-7 / tert-butyl 1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate | DTXSID80678241 | tert-Butyl 6-oxo-2,7-diazaspiro(4.4)nonane-2-carboxylate

Standard CAS: 1194376-44-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1194376-44-7
Multi CAS
Yes
Molecular Formula
C12H20N2O3
Molecular Weight
240.300000
Exact Mass
240.147393
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNC2=O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
RJXAFHSMTSRJKE-UHFFFAOYSA-N
Synonyms
tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate DTXSID80678241 tert-Butyl 6-oxo-2,7-diazaspiro(4.4)nonane-2-carboxylate RefChem:383711 DTXCID50628990

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.48
TPSA
58.64

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.38

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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