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CAS 1160246-76-3 TERT-BUTYL 1,3-DIOXO-2,7-DIAZASPIRO[4.5]DECANE-7-CARBOXYLATE molecular structure lightbox
CAS RN: 1160246-76-3

TERT-BUTYL 1,3-DIOXO-2,7-DIAZASPIRO[4.5]DECANE-7-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-016061
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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: ≥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 1160246-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1160246-76-3 / tert-butyl 1,3-dioxo-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-Butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate | tert-butyl 1,3-dioxo-2,9-diazaspiro[4.5]decane-9-carboxylate | MFCD12195868

Standard CAS: 1160246-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160246-76-3
Multi CAS
No
Molecular Formula
C13H20N2O4
Molecular Weight
268.310000
Exact Mass
268.142307
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(=O)NC2=O
InChI
InChI=1S/C13H20N2O4/c1-12(2,3)19-11(18)15-6-4-5-13(8-15)7-9(16)14-10(13)17/h4-8H2,1-3H3,(H,14,16,17)
InChIKey
KGASDBALYJEYOG-UHFFFAOYSA-N
Synonyms
tert-Butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate tert-butyl 1,3-dioxo-2,9-diazaspiro[4.5]decane-9-carboxylate MFCD12195868 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 1,3-dioxo-, 1,1-dimethylethyl ester 7-BOC-1,3-DIOXO-2,7-DIAZASPIRO[4.5]DECANE

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.24
TPSA
75.71

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
0.2
Consensus LogP
0.73
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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