![CAS 2227206-10-0 (1R,5S)-3-benzyl-3-azaspiro[bicyclo[3.2.1]octane-8,2′-[1,3]dioxolane] hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227206-10-0.gif)
CAS RN: 2227206-10-0
(1R,5S)-3-benzyl-3-azaspiro[bicyclo[3.2.1]octane-8,2′-[1,3]dioxolane] hydrochloride
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.20260114 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2227206-10-0
- Purity/Analytical Methods: >99.0%
2227206-10-0 / 3'-benzylspiro[1,3-dioxolane-2,8'-3-azabicyclo[3.2.1]octane];hydrochloride
Basic Information
CAS
2227206-10-0
Multi CAS
No
Molecular Formula
C16H22ClNO2
Molecular Weight
295.800000
Exact Mass
295.133907
SMILES
C1CC2CN(CC1C23OCCO3)CC4=CC=CC=C4.Cl
InChI
InChI=1S/C16H21NO2.ClH/c1-2-4-13(5-3-1)10-17-11-14-6-7-15(12-17)16(14)18-8-9-19-16;/h1-5,14-15H,6-12H2;1H
InChIKey
LQLAOKQAAPFOJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.82
TPSA
21.7
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.69
Consensus LogP
2.59
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6
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