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 | Beijing | Inquiry |
2384-70-5 / dec-2-yne
Basic Information
CAS
2384-70-5
Multi CAS
No
Molecular Formula
C10H18
Molecular Weight
138.250000
Exact Mass
138.140851
SMILES
CCCCCCCC#CC
InChI
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3,5,7-10H2,1-2H3
InChIKey
RWDDSTHSVISBEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
5
Molar refractivity
46.83
TPSA
0.0000
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
4.6
Consensus LogP
3.64
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-1.17
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
![CAS 22692-80-4 1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1408-jpgcontextbwfzdgvyfhjvb3r8mju0mjb8aw1hz2uvanblz3xozgivagfmlzg5mza1oteznzuzotavrte0mdguanbnfda0ogvmywi2otrmyzi1odfkmmiznju5mzzhnjc4yzrmogfiogfimdaxmmjhymeyywmwn2qwmjuymzmwztewnzk.jpeg)
