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, 5g, 10g, 25g, 100g, 1000g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
2758-18-1 / 3-methylcyclopent-2-en-1-one
Basic Information
CAS
2758-18-1
Multi CAS
Yes
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
InChI
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-N
Physical Properties
Density
0.968-0.975
Physical Description
Pale straw-coloured liquid; warm-spicy, sweet-floral and diffusive yet quite tenaceous odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
28
TPSA
17.07
LogP / Solubility
WLOGP
1.3
MLOGP
1.13
XLogP3
0.5
Consensus LogP
0.98
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
