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CAS 1356086-98-0 tert-Butyl 3-ethyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate molecular structure lightbox
CAS RN: 1356086-98-0

tert-Butyl 3-ethyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1356086-98-0
  • Purity/Analytical Methods: >99.0%
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1356086-98-0 / tert-butyl 3-ethyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Standard CAS: 1356086-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1356086-98-0
Multi CAS
No
Molecular Formula
C15H26N2O3
Molecular Weight
282.380000
Exact Mass
282.194343
SMILES
CCC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)N1
InChI
InChI=1S/C15H26N2O3/c1-5-11-10-15(12(18)16-11)6-8-17(9-7-15)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKey
IDDYYEMQTBPMON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.31
TPSA
58.64

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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