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CAS 1341039-06-2 Tert-Butyl 9-Oxo-2,8-Diazaspiro[4.6]Undecane-2-Carboxylate molecular structure lightbox
CAS RN: 1341039-06-2

Tert-Butyl 9-Oxo-2,8-Diazaspiro[4.6]Undecane-2-Carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1341039-06-2
  • Purity/Analytical Methods: >99.0%
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1341039-06-2 / tert-butyl 8-oxo-2,9-diazaspiro[4.6]undecane-2-carboxylate

Standard CAS: 1341039-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341039-06-2
Multi CAS
No
Molecular Formula
C14H24N2O3
Molecular Weight
268.350000
Exact Mass
268.178693
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(=O)NCC2
InChI
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-7-14(10-16)5-4-11(17)15-8-6-14/h4-10H2,1-3H3,(H,15,17)
InChIKey
HGVWDUJGUKCNHN-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
1.1
Consensus LogP
1.57
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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