[email protected]
CAS 1193-47-1 2,2-DIMETHYLCYCLOHEXANONE molecular structure lightbox
CAS RN: 1193-47-1

2,2-DIMETHYLCYCLOHEXANONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 100mg In stock Shanghai Inquiry
Batchno.20260513 1g In stock Shanghai Inquiry
Batchno.20260302 250mg In stock Shanghai Inquiry
Batchno.20260522 5g In stock Shanghai Inquiry
  • Product code: SSC-019832
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1193-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1193-47-1 / 2,2-dimethylcyclohexan-1-one

2,2-Dimethylcyclohexanone | 2,2-dimethylcyclohexan-1-one | DTXSID30870859

Standard CAS: 1193-47-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1193-47-1
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
CC1(CCCCC1=O)C
InChI
InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKey
KNSPBSQWRKKAPI-UHFFFAOYSA-N
Synonyms
2,2-Dimethylcyclohexanone 2,2-dimethylcyclohexan-1-one DTXSID30870859 RefChem:441412 DTXCID20818543

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.88
H-bond acceptors
1
Molar refractivity
37.26
TPSA
17.07

LogP / Solubility

WLOGP
2.16
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-1.96

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
Warning
GHS Hazard Statements
H226 (100%): 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

Customers Also Viewed

Get In Touch

Contact Us