![CAS 1983157-41-0 ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983157-41-0.gif)
CAS RN: 1983157-41-0
ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS1983157-41-0
- Purity/Analytical Methods: >99.0%
1983157-41-0 / ethyl 6-azaspiro[2.5]octane-2-carboxylate;hydrochloride
Basic Information
CAS
1983157-41-0
Multi CAS
No
Molecular Formula
C10H18ClNO2
Molecular Weight
219.710000
Exact Mass
219.102607
SMILES
CCOC(=O)C1CC12CCNCC2.Cl
InChI
InChI=1S/C10H17NO2.ClH/c1-2-13-9(12)8-7-10(8)3-5-11-6-4-10;/h8,11H,2-7H2,1H3;1H
InChIKey
AMBMLYMXCBNDFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.52
TPSA
38.33
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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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