CAS RN: 26825-89-8
METHYL 16-BROMOHEXADECANOATE
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 100g | Out of stock | Inquiry | |
| Batchno.20260419 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250724 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250722 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250719 | 25g | Out of stock | Inquiry | |
| Batchno.20250615 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-125119
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: >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 |
|---|---|---|---|---|
| 1g | >98% | 0 Out of Stock | Shanghai | Inquiry |
26825-89-8 / methyl 16-bromohexadecanoate
Basic Information
CAS
26825-89-8
Multi CAS
No
Molecular Formula
C17H33BrO2
Molecular Weight
349.300000
Exact Mass
348.166390
SMILES
COC(=O)CCCCCCCCCCCCCCCBr
InChI
InChI=1S/C17H33BrO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-16H2,1H3
InChIKey
ZYTQDEJMRYPSHE-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
7.3
Consensus LogP
6.21
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
