CAS RN: 64097-70-7

2,8-Diazaspiro[4.5]decane-1,3-dione,2-phenyl-

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  • Product code: starshine_CAS64097-70-7
  • Purity/Analytical Methods: >99.0%
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64097-70-7 / 2-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione

Standard CAS: 64097-70-7 Multi CAS: No

Basic Information

CAS
64097-70-7
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
InChI
InChI=1S/C14H16N2O2/c17-12-10-14(6-8-15-9-7-14)13(18)16(12)11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKey
LTOKLZWIUKWKGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.09
TPSA
49.41

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
0.6
Consensus LogP
1.03
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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