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CAS 1341036-75-6 tert-butyl 7-(aminomethyl)-2-azaspiro[4.4]nonane-2-carboxylate molecular structure lightbox
CAS RN: 1341036-75-6

tert-butyl 7-(aminomethyl)-2-azaspiro[4.4]nonane-2-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1341036-75-6
  • Purity/Analytical Methods: >99.0%
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1341036-75-6 / tert-butyl 8-(aminomethyl)-2-azaspiro[4.4]nonane-2-carboxylate

Standard CAS: 1341036-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341036-75-6
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C2)CN
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-7-6-14(10-16)5-4-11(8-14)9-15/h11H,4-10,15H2,1-3H3
InChIKey
CJMRYBSIKXAGFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.25
TPSA
55.56

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.5
Consensus LogP
1.99
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
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)
-2.59

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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