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CAS 1782213-76-6 tert-butyl 1-amino-7-azaspiro[4.5]decane-7-carboxylate molecular structure lightbox
CAS RN: 1782213-76-6

tert-butyl 1-amino-7-azaspiro[4.5]decane-7-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1782213-76-6
  • Purity/Analytical Methods: >99.0%
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1782213-76-6 / tert-butyl 4-amino-7-azaspiro[4.5]decane-7-carboxylate

Standard CAS: 1782213-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782213-76-6
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCCC2N
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-8-14(10-16)7-4-6-11(14)15/h11H,4-10,15H2,1-3H3
InChIKey
DSYGYBAININKJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.3
TPSA
55.56

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
1.7
Consensus LogP
2.14
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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