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CAS 1202072-52-3 1-Benzyl-1-azaspiro[4.5]decan-8-one molecular structure lightbox
CAS RN: 1202072-52-3

1-Benzyl-1-azaspiro[4.5]decan-8-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1202072-52-3
  • Purity/Analytical Methods: >99.0%
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1202072-52-3 / 1-benzyl-1-azaspiro[4.5]decan-8-one

1-benzyl-1-azaspiro[4.5]decan-8-one | MFCD23106208 | SCHEMBL1557924

Standard CAS: 1202072-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202072-52-3
Multi CAS
No
Molecular Formula
C16H21NO
Molecular Weight
243.340000
Exact Mass
243.162314
SMILES
C1CC2(CCC(=O)CC2)N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO/c18-15-7-10-16(11-8-15)9-4-12-17(16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey
NJPLBRDLSYTQEV-UHFFFAOYSA-N
Synonyms
1-benzyl-1-azaspiro[4.5]decan-8-one MFCD23106208 SCHEMBL1557924 AKOS025291215 PB36174

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.29
TPSA
20.31

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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