![CAS 1427416-73-6 {3-azabicyclo[3.2.1]octan-8-yl}methanol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427416-73-6.gif)
CAS RN: 1427416-73-6
{3-azabicyclo[3.2.1]octan-8-yl}methanol hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1427416-73-6
- Purity/Analytical Methods: >99.0%
1427416-73-6 / 3-azabicyclo[3.2.1]octan-8-ylmethanol;hydrochloride
Basic Information
CAS
1427416-73-6
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1CC2CNCC1C2CO.Cl
InChI
InChI=1S/C8H15NO.ClH/c10-5-8-6-1-2-7(8)4-9-3-6;/h6-10H,1-5H2;1H
InChIKey
AYDHYTDPQXRXBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.91
TPSA
32.26
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.48
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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