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CAS 1408076-15-2 7-Boc-1-oxa-3-oxo-7-azaspiro[3.5]nonane molecular structure lightbox
CAS RN: 1408076-15-2

7-Boc-1-oxa-3-oxo-7-azaspiro[3.5]nonane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 50mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1408076-15-2
  • Purity/Analytical Methods: >99.0%
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1408076-15-2 / tert-butyl 3-oxo-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

Standard CAS: 1408076-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408076-15-2
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)CO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-6-4-12(5-7-13)9(14)8-16-12/h4-8H2,1-3H3
InChIKey
AOIJOERXQRBNOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.73
TPSA
55.84

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.23

Drug-likeness / Medicinal Chemistry

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

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