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CAS 65092-20-8 1′-Benzyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4′-piperidine molecular structure lightbox
CAS RN: 65092-20-8

1′-Benzyl-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.20260519 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS65092-20-8
  • Purity/Analytical Methods: >99.0%
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65092-20-8 / 1'-benzylspiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]

Standard CAS: 65092-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65092-20-8
Multi CAS
No
Molecular Formula
C17H22N4
Molecular Weight
282.400000
Exact Mass
282.184447
InChI
InChI=1S/C17H22N4/c1-2-4-14(5-3-1)12-21-10-7-17(8-11-21)16-15(6-9-20-17)18-13-19-16/h1-5,13,20H,6-12H2,(H,18,19)
InChIKey
UCTBQJYYYGUAGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.93
TPSA
43.95

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.4
Consensus LogP
1.75
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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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