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CAS 1374659-20-7 5-Boc-2-oxa-5-azaspiro[3.5]nonane molecular structure lightbox
CAS RN: 1374659-20-7

5-Boc-2-oxa-5-azaspiro[3.5]nonane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1374659-20-7
  • Purity/Analytical Methods: >99.0%
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1374659-20-7 / tert-butyl 2-oxa-5-azaspiro[3.5]nonane-5-carboxylate

Standard CAS: 1374659-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374659-20-7
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CCCCC12COC2
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-7-5-4-6-12(13)8-15-9-12/h4-9H2,1-3H3
InChIKey
DCVLKDKWPCOLMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.34
TPSA
38.77

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
1.5
Consensus LogP
1.87
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.56

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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