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CAS 1121-18-2 2-METHYL-2-CYCLOHEXEN-1-ONE molecular structure lightbox
CAS RN: 1121-18-2

2-METHYL-2-CYCLOHEXEN-1-ONE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 1g In stock Shandong, Chongqing, Hebei Inquiry
Batchno.20250211 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250821 5g In stock Shandong Inquiry
  • Product code: SSC-012575
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1121-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1121-18-2 / 2-methylcyclohex-2-en-1-one

2-Methyl-2-cyclohexen-1-one | 2-methylcyclohex-2-en-1-one | 2-Cyclohexen-1-one, 2-methyl-

Standard CAS: 1121-18-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121-18-2
Multi CAS
No
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
SMILES
CC1=CCCCC1=O
InChI
InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h4H,2-3,5H2,1H3
InChIKey
LKTNAAYQZJAXCJ-UHFFFAOYSA-N
Synonyms
2-Methyl-2-cyclohexen-1-one 2-methylcyclohex-2-en-1-one 2-Cyclohexen-1-one, 2-methyl- 2-methyl-2-cyclohexenone I8GTZ04A1D

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.57
H-bond acceptors
1
Molar refractivity
32.61
TPSA
17.07

LogP / Solubility

WLOGP
1.69
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.2

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 Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501

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