![CAS 2095192-33-7 tert-butyl 6-azaspiro[2.5]oct-1-ylcarbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095192-33-7.png)
CAS RN: 2095192-33-7
tert-butyl 6-azaspiro[2.5]oct-1-ylcarbamate hydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2095192-33-7
- Purity/Analytical Methods: >99.0%
2095192-33-7 / tert-butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate;hydrochloride
Basic Information
CAS
2095192-33-7
Multi CAS
No
Molecular Formula
C12H23ClN2O2
Molecular Weight
262.770000
Exact Mass
262.144806
SMILES
CC(C)(C)OC(=O)NC1CC12CCNCC2.Cl
InChI
InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-9-8-12(9)4-6-13-7-5-12;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKey
ZFGAOSRTELUZQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.56
TPSA
50.36
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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