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CAS 1245643-65-5 7-benzyl-2,7-diazaspiro[4.5]decan-1-one molecular structure lightbox
CAS RN: 1245643-65-5

7-benzyl-2,7-diazaspiro[4.5]decan-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1245643-65-5
  • Purity/Analytical Methods: >99.0%
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1245643-65-5 / 9-benzyl-2,9-diazaspiro[4.5]decan-1-one

Standard CAS: 1245643-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245643-65-5
Multi CAS
No
Molecular Formula
C15H20N2O
Molecular Weight
244.330000
Exact Mass
244.157563
SMILES
C1CC2(CCNC2=O)CN(C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-14-15(8-9-16-14)7-4-10-17(12-15)11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,18)
InChIKey
RUXGTEQSWKODCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.01
TPSA
32.34

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.94

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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