CAS RN: 2089253-38-1
Octanoic acid, 8-bromo-, nonyl ester
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.20260217 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098208
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 |
2089253-38-1 / nonyl 8-bromooctanoate
Basic Information
CAS
2089253-38-1
Multi CAS
No
Molecular Formula
C17H33BrO2
Molecular Weight
349.300000
Exact Mass
348.166390
SMILES
CCCCCCCCCOC(=O)CCCCCCCBr
InChI
InChI=1S/C17H33BrO2/c1-2-3-4-5-6-10-13-16-20-17(19)14-11-8-7-9-12-15-18/h2-16H2,1H3
InChIKey
YTEWVOJCOXWUEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
90.45
TPSA
26.3
LogP / Solubility
WLOGP
6.02
MLOGP
5.31
XLogP3
6.9
Consensus LogP
6.08
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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