CAS RN: 1194-18-9
1,3-Cycloheptanedione
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260213 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250331 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250704 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250830 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251230 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250709 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250518 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-019934
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, 0.1g, 0.25g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1194-18-9 / cycloheptane-1,3-dione
Cycloheptane-1,3-dione | DTXSID20399029 | RefChem:129504
Basic Information
CAS
1194-18-9
Multi CAS
Yes
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
C1CCC(=O)CC(=O)C1
InChI
InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
InChIKey
DBOVMTXPZWVYAQ-UHFFFAOYSA-N
Synonyms
Cycloheptane-1,3-dione
DTXSID20399029
RefChem:129504
DTXCID80349888
832-267-1
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
33.1
TPSA
34.14
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
0.3
Consensus LogP
0.78
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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