CAS RN: 19781-86-3
8-Hexadecyne
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.20250128 | 1ml | In stock | Shanghai, Shandong | Inquiry |
- Product code: SSC-093251
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: ≥99%
- 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 | ≥99% | 0 Out of Stock | Shenzhen | Inquiry |
19781-86-3 / hexadec-8-yne
Basic Information
CAS
19781-86-3
Multi CAS
No
Molecular Formula
C16H30
Molecular Weight
222.410000
Exact Mass
222.234751
SMILES
CCCCCCCC#CCCCCCCC
InChI
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey
YSDKMBBHKZXPME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.88
Rotatable bonds
10
Molar refractivity
74.53
TPSA
0.0000
LogP / Solubility
WLOGP
5.71
MLOGP
5.03
XLogP3
7.7
Consensus LogP
6.15
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.02
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
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement Codes
P301+P316, P331, P405, and P501
