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CAS 1314965-08-6 2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride molecular structure lightbox
CAS RN: 1314965-08-6

2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 100mg In stock Shanghai Inquiry
Batchno.20260527 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260527 1g Out of stock Inquiry
Batchno.20260425 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1314965-08-6
  • Purity/Analytical Methods: >99.0%
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1314965-08-6 / 2-oxa-8-azaspiro[4.5]decan-1-one;hydrochloride

Standard CAS: 1314965-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314965-08-6
Multi CAS
No
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C1CNCCC12CCOC2=O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c10-7-8(3-6-11-7)1-4-9-5-2-8;/h9H,1-6H2;1H
InChIKey
KPGCANIHGVTRKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.36
TPSA
38.33

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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