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CAS 1341039-08-4 tert-butyl 1-oxo-2,8-diazaspiro[4.6]undecane-8-carboxylate molecular structure lightbox
CAS RN: 1341039-08-4

tert-butyl 1-oxo-2,8-diazaspiro[4.6]undecane-8-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1341039-08-4
  • Purity/Analytical Methods: >99.0%
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1341039-08-4 / tert-butyl 1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate

Standard CAS: 1341039-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341039-08-4
Multi CAS
No
Molecular Formula
C14H24N2O3
Molecular Weight
268.350000
Exact Mass
268.178693
SMILES
CC(C)(C)OC(=O)N1CCCC2(CCNC2=O)CC1
InChI
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-4-5-14(7-10-16)6-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChIKey
PNIHEKTXCMKGFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.72
TPSA
58.64

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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

Drug-likeness / Medicinal Chemistry

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

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