CAS RN: 774-05-0
Ethyl 2-Oxocycloheptanecarboxylate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250326 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250513 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20251025 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-186947
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, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
774-05-0 / ethyl 2-oxocycloheptane-1-carboxylate
Basic Information
CAS
774-05-0
Multi CAS
Yes
Molecular Formula
C10H16O3
Molecular Weight
184.230000
Exact Mass
184.109944
InChI
InChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8H,2-7H2,1H3
InChIKey
MKRBAWHVHOVBOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.22
TPSA
43.37
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.64
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
2
