![CAS 134176-18-4 ETHYL 2-OXOBICYCLO[3.1.0]HEXANE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134176-18-4.gif)
CAS RN: 134176-18-4
ETHYL 2-OXOBICYCLO[3.1.0]HEXANE-6-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-041569
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: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
134176-18-4 / ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
Basic Information
CAS
134176-18-4
Multi CAS
No
Molecular Formula
C9H12O3
Molecular Weight
168.190000
Exact Mass
168.078644
SMILES
CCOC(=O)C1C2C1C(=O)CC2
InChI
InChI=1S/C9H12O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5,7-8H,2-4H2,1H3
InChIKey
WTXWGJHLNCVWJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.34
TPSA
43.37
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.3
Consensus LogP
0.58
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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