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CAS 1192-33-2 3,3-Dimethylcyclobutanone molecular structure lightbox
CAS RN: 1192-33-2

3,3-Dimethylcyclobutanone

  • Product code: SSC-019683
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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: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1192-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shanghai Inquiry

1192-33-2 / 3,3-dimethylcyclobutan-1-one

3,3-dimethylcyclobutan-1-one | RefChem:485565 | 815-330-8

Standard CAS: 1192-33-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192-33-2
Multi CAS
No
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
CC1(CC(=O)C1)C
InChI
InChI=1S/C6H10O/c1-6(2)3-5(7)4-6/h3-4H2,1-2H3
InChIKey
QKBARYIIIXIZGP-UHFFFAOYSA-N
Synonyms
3,3-dimethylcyclobutan-1-one RefChem:485565 815-330-8 3,3-Dimethylcyclobutanone Cyclobutanone, 3,3-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
28.02
TPSA
17.07

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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