CAS RN: 13038-22-7
8-Nonenyl Acetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260121 | 1ml / 5ml | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-036996
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: 5ml
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5ml | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
13038-22-7 / non-8-enyl acetate
Basic Information
CAS
13038-22-7
Multi CAS
No
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
SMILES
CC(=O)OCCCCCCCC=C
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3H,1,4-10H2,2H3
InChIKey
HUXQMCFHKGATCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
54.53
TPSA
26.3
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
3.5
Consensus LogP
3.1
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-1.66
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
