CAS RN: 510-74-7

AMI-193

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  • Product code: starshine_CAS510-74-7
  • Purity/Analytical Methods: >99.0%
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510-74-7 / 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Standard CAS: 510-74-7 Multi CAS: Yes

Basic Information

CAS
510-74-7
Multi CAS
Yes
Molecular Formula
C22FH26N3O2
Molecular Weight
383.500000
Exact Mass
383.200905
InChI
InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
InChIKey
FJUKDAZEABGEIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.85
TPSA
44.81

LogP / Solubility

WLOGP
3.02
MLOGP
2.68
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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