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CAS 144282-41-7 (S)-7-AMINO-5-BENZYL-4-OXO-5-AZASPIRO[2.4]HEPTANE molecular structure lightbox
CAS RN: 144282-41-7

(S)-7-AMINO-5-BENZYL-4-OXO-5-AZASPIRO[2.4]HEPTANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS144282-41-7
  • Purity/Analytical Methods: >99.0%
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144282-41-7 / (7S)-7-amino-5-benzyl-5-azaspiro[2.4]heptan-4-one

Standard CAS: 144282-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144282-41-7
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
SMILES
C1CC12[C@@H](CN(C2=O)CC3=CC=CC=C3)N
InChI
InChI=1S/C13H16N2O/c14-11-9-15(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2/t11-/m1/s1
InChIKey
LHEHAUPMESDYCV-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.5
TPSA
46.33

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

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