CAS RN: 2789-88-0
DI-P-TOLYLACETYLENE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250712 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260218 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260405 | 1g | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260204 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260117 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-128314
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2789-88-0 / 1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
Basic Information
CAS
2789-88-0
Multi CAS
No
Molecular Formula
C16H14
Molecular Weight
206.280000
Exact Mass
206.109550
InChI
InChI=1S/C16H14/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,1-2H3
InChIKey
OFDOCXDLDQXWIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
Molar refractivity
68.34
TPSA
0.0000
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
4.7
Consensus LogP
3.89
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35
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 27913-86-6 4-[N,N-Bis(2-hydroxyethyl)amino]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27913-86-6.gif)
