![CAS 1820619-77-9 3-AZASPIRO[5.5]UNDECAN-9-OL HYDROCHLORIDE(WX102571S1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820619-77-9.gif)
CAS RN: 1820619-77-9
3-AZASPIRO[5.5]UNDECAN-9-OL HYDROCHLORIDE(WX102571S1)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1820619-77-9
- Purity/Analytical Methods: >99.0%
1820619-77-9 / 3-azaspiro[5.5]undecan-9-ol;hydrochloride
Basic Information
CAS
1820619-77-9
Multi CAS
No
Molecular Formula
C10H20ClNO
Molecular Weight
205.720000
Exact Mass
205.123342
SMILES
C1CC2(CCC1O)CCNCC2.Cl
InChI
InChI=1S/C10H19NO.ClH/c12-9-1-3-10(4-2-9)5-7-11-8-6-10;/h9,11-12H,1-8H2;1H
InChIKey
XHCLAZHXETUXJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.26
TPSA
32.26
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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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