![CAS 1263291-39-9 Ethyl (1α,8α,9β)-bicyclo[6.1.0]non-4-ene-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263291-39-9.gif)
CAS RN: 1263291-39-9
Ethyl (1α,8α,9β)-bicyclo[6.1.0]non-4-ene-9-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260504 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260414 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251102 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251204 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-033426
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1263291-39-9 / ethyl (1S,4Z,8R)-bicyclo[6.1.0]non-4-ene-9-carboxylate
Basic Information
CAS
1263291-39-9
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
SMILES
CCOC(=O)C1[C@H]2[C@@H]1CC/C=C\CC2
InChI
InChI=1S/C12H18O2/c1-2-14-12(13)11-9-7-5-3-4-6-8-10(9)11/h3-4,9-11H,2,5-8H2,1H3/b4-3-/t9-,10+,11?
InChIKey
BAOUWGVQCUYLAA-ACNMEMRISA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.71
TPSA
26.3
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
3
Consensus LogP
2.59
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.1
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
2.5
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