CAS RN: 81367-59-1
1-Bromo-2-methylhexadecane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250210 | 250mg | In stock | Inquiry |
- Product code: SSC-189846
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 | Beijing | Inquiry |
81367-59-1 / 1-bromo-2-methylhexadecane
Basic Information
CAS
81367-59-1
Multi CAS
No
Molecular Formula
C17H35BR
Molecular Weight
319.400000
Exact Mass
318.192210
InChI
InChI=1S/C17H35Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h17H,3-16H2,1-2H3
InChIKey
VHNPILDWLZOLCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
88.65
TPSA
0.0000
LogP / Solubility
WLOGP
7.11
MLOGP
6.27
XLogP3
9.2
Consensus LogP
7.53
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.32
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)
0.38
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
2
