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CAS 79221-75-3 1-Azabicyclo[2.2.2]octane-3-methanol hydrochloride molecular structure lightbox
CAS RN: 79221-75-3

1-Azabicyclo[2.2.2]octane-3-methanol hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS79221-75-3
  • Purity/Analytical Methods: >99.0%
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79221-75-3 / 1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride

Standard CAS: 79221-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79221-75-3
Multi CAS
No
Molecular Formula
C8H16CLNO
Molecular Weight
177.670000
Exact Mass
177.092042
InChI
InChI=1S/C8H15NO.ClH/c10-6-8-5-9-3-1-7(8)2-4-9;/h7-8,10H,1-6H2;1H
InChIKey
NMEVUMYCORKZHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.99
TPSA
23.47

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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