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CAS 974-41-4 8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one molecular structure lightbox
CAS RN: 974-41-4

8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS974-41-4
  • Purity/Analytical Methods: >99.0%
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974-41-4 / 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Standard CAS: 974-41-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
974-41-4
Multi CAS
Yes
Molecular Formula
C20H23N3O
Molecular Weight
321.400000
Exact Mass
321.184112
InChI
InChI=1S/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24)
InChIKey
QMECPMOWMNRLSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
95.61
TPSA
35.58

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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