CAS RN: 20500-49-6
3,3-DiMethyl-cyclopentanone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-096464
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: 1g, 10g, 5g, 0.25g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
20500-49-6 / 3,3-dimethylcyclopentan-1-one
Basic Information
CAS
20500-49-6
Multi CAS
No
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
SMILES
CC1(CCC(=O)C1)C
InChI
InChI=1S/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H3
InChIKey
JSYAQLZSGHPSJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07
LogP / Solubility
WLOGP
1.77
MLOGP
1.54
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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