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CAS 1121-66-0 2-Cyclohepten-1-one molecular structure lightbox
CAS RN: 1121-66-0

2-Cyclohepten-1-one

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100g In stock Shanghai Inquiry
Batchno.20250123 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251011 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250310 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250902 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-012586
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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: 25g
  • Available purity: 80%
  • 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 1121-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 80% 0 Out of Stock Beijing Inquiry

1121-66-0 / cyclohept-2-en-1-one

2-Cyclohepten-1-one | Cyclohept-2-en-1-one | DTXSID30149916

Standard CAS: 1121-66-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121-66-0
Multi CAS
Yes
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
SMILES
C1CCC(=O)C=CC1
InChI
InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
InChIKey
WZCRDVTWUYLPTR-UHFFFAOYSA-N
Synonyms
2-Cyclohepten-1-one Cyclohept-2-en-1-one DTXSID30149916 2-cycloheptene-1-one RefChem:86591

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
1.4
Consensus LogP
1.52
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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