![CAS 2344685-49-8 7-Azaspiro[3.5]nonan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2344685-49-8.gif)
CAS RN: 2344685-49-8
7-Azaspiro[3.5]nonan-6-one
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-113274
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2344685-49-8 / 7-azaspiro[3.5]nonan-8-one
Basic Information
CAS
2344685-49-8
Multi CAS
No
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
SMILES
C1CC2(C1)CCNC(=O)C2
InChI
InChI=1S/C8H13NO/c10-7-6-8(2-1-3-8)4-5-9-7/h1-6H2,(H,9,10)
InChIKey
QGYZVUSLLNTMHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.53
TPSA
29.1
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
XLogP3
1.1
Consensus LogP
1.03
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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