CAS RN: 1191-95-3
Cyclobutanone (stabilized with Na2CO3)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-019576
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, 500g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 5 In Stock | Shenzhen | Inquiry |
1191-95-3 / cyclobutanone
CYCLOBUTANONE | MFCD00001332 | NSC 87632
Basic Information
CAS
1191-95-3
Multi CAS
Yes
Molecular Formula
C4H6O
Molecular Weight
70.090000
Exact Mass
70.041865
SMILES
C1CC(=O)C1
InChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2
InChIKey
SHQSVMDWKBRBGB-UHFFFAOYSA-N
Synonyms
CYCLOBUTANONE
MFCD00001332
NSC 87632
6PF2SH405U
NSC-87632
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.75
H-bond acceptors
1
Molar refractivity
18.86
TPSA
17.07
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
Consensus LogP
0.46
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H225 (23.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H226 (76.8%): Flammable liquid and vapor [Warning 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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