![CAS 1823500-42-0 BENZYL 8-AMINO-5-AZASPIRO[2.5]OCTANE-5-CARBOXYLATE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823500-42-0.gif)
CAS RN: 1823500-42-0
BENZYL 8-AMINO-5-AZASPIRO[2.5]OCTANE-5-CARBOXYLATE HCL
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.20260410 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823500-42-0
- Purity/Analytical Methods: >99.0%
1823500-42-0 / benzyl 8-amino-5-azaspiro[2.5]octane-5-carboxylate;hydrochloride
Basic Information
CAS
1823500-42-0
Multi CAS
No
Molecular Formula
C15H21ClN2O2
Molecular Weight
296.790000
Exact Mass
296.129156
SMILES
C1CN(CC2(C1N)CC2)C(=O)OCC3=CC=CC=C3.Cl
InChI
InChI=1S/C15H20N2O2.ClH/c16-13-6-9-17(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12;/h1-5,13H,6-11,16H2;1H
InChIKey
SFWDWAKAWFKOHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.71
TPSA
55.56
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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