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CAS 1374658-90-8 tert-Butyl 2,8-dioxa-5-azaspiro[3.5]nonane-5-carboxylate molecular structure lightbox
CAS RN: 1374658-90-8

tert-Butyl 2,8-dioxa-5-azaspiro[3.5]nonane-5-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 100mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1374658-90-8
  • Purity/Analytical Methods: >99.0%
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1374658-90-8 / tert-butyl 2,8-dioxa-5-azaspiro[3.5]nonane-5-carboxylate

Standard CAS: 1374658-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374658-90-8
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CCOCC12COC2
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(13)12-4-5-14-6-11(12)7-15-8-11/h4-8H2,1-3H3
InChIKey
QIXNFCVCJMEFFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
57.31
TPSA
48

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.39

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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