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CAS 1951440-87-1 3-azabicyclo[3.3.1]nonan-7-ol hydrochloride molecular structure lightbox
CAS RN: 1951440-87-1

3-azabicyclo[3.3.1]nonan-7-ol hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1951440-87-1
  • Purity/Analytical Methods: >99.0%
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1951440-87-1 / 3-azabicyclo[3.3.1]nonan-7-ol;hydrochloride

Standard CAS: 1951440-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951440-87-1
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1C2CC(CC1CNC2)O.Cl
InChI
InChI=1S/C8H15NO.ClH/c10-8-2-6-1-7(3-8)5-9-4-6;/h6-10H,1-5H2;1H
InChIKey
LFNOPQATAUXHOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.96
TPSA
32.26

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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