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CAS 1160247-03-9 tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate molecular structure lightbox
CAS RN: 1160247-03-9

tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-016074
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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 1160247-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1160247-03-9 / tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate

TERT-BUTYL 2-OXO-4-OXA-1,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE | MFCD12198542 | 4-Oxa-1,9-diazaspiro[5.5]undecane-9-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

Standard CAS: 1160247-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160247-03-9
Multi CAS
No
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COCC(=O)N2
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-6-4-13(5-7-15)9-18-8-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
QKXMLYAKUCFKGQ-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 2-OXO-4-OXA-1,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE MFCD12198542 4-Oxa-1,9-diazaspiro[5.5]undecane-9-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester tert-Butyl 2-oxo-4-oxa-1,9-diazaspiro-[5.5]undecane-9-carboxylate 9-Boc-2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.73
TPSA
67.87

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.73

Drug-likeness / Medicinal Chemistry

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

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