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CAS 1463-48-5 8-BENZYL-2,8-DIAZA-SPIRO[4.5]DECANE-1,3-DIONE molecular structure lightbox
CAS RN: 1463-48-5

8-BENZYL-2,8-DIAZA-SPIRO[4.5]DECANE-1,3-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1463-48-5
  • Purity/Analytical Methods: >99.0%
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1463-48-5 / 8-benzyl-2,8-diazaspiro[4.5]decane-1,3-dione

Standard CAS: 1463-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1463-48-5
Multi CAS
No
Molecular Formula
C15H18N2O2
Molecular Weight
258.320000
Exact Mass
258.136828
SMILES
C1CN(CCC12CC(=O)NC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C15H18N2O2/c18-13-10-15(14(19)16-13)6-8-17(9-7-15)11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18,19)
InChIKey
ZGADWVQZLQNWHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.15
TPSA
49.41

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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