![CAS 134179-01-4 1-Oxaspiro[4.4]nonan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134179-01-4.gif)
CAS RN: 134179-01-4
1-Oxaspiro[4.4]nonan-6-one
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.20260606 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS134179-01-4
- Purity/Analytical Methods: >99.0%
134179-01-4 / 1-oxaspiro[4.4]nonan-9-one
Basic Information
CAS
134179-01-4
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
C1CC(=O)C2(C1)CCCO2
InChI
InChI=1S/C8H12O2/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2
InChIKey
XKWJYHWZACPOAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
36.77
TPSA
26.3
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.7
Consensus LogP
1.04
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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