CAS RN: 1549050-50-1
4-ethynylcyclohexan-1-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.20250602 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-064225
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, 10g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1549050-50-1 / 4-ethynylcyclohexan-1-one
Basic Information
CAS
1549050-50-1
Multi CAS
No
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
SMILES
C#CC1CCC(=O)CC1
InChI
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h1,7H,3-6H2
InChIKey
XPEFFGQWHGOVGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.62
H-bond acceptors
1
Molar refractivity
35.8
TPSA
17.07
LogP / Solubility
WLOGP
1.38
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
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