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CAS 65092-21-9 1′-Acetyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4′-piperidine] molecular structure lightbox
CAS RN: 65092-21-9

1′-Acetyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4′-piperidine]

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 500mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS65092-21-9
  • Purity/Analytical Methods: >99.0%
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65092-21-9 / 1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylethanone

Standard CAS: 65092-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65092-21-9
Multi CAS
No
Molecular Formula
C12H18N4O
Molecular Weight
234.300000
Exact Mass
234.148061
InChI
InChI=1S/C12H18N4O/c1-9(17)16-6-3-12(4-7-16)11-10(2-5-15-12)13-8-14-11/h8,15H,2-7H2,1H3,(H,13,14)
InChIKey
SUFIBPJTUVGMDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.46
TPSA
61.02

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
-0.6
Consensus LogP
0.05
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-3.87

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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