CAS RN: 79887-10-8
1-Ethynyl-4-pentylbenzene
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251208 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250520 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250330 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260303 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260106 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-188909
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 25g, 5g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 4 In Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
79887-10-8 / 1-ethynyl-4-pentylbenzene
Basic Information
CAS
79887-10-8
Multi CAS
Yes
Molecular Formula
C13H16
Molecular Weight
172.270000
Exact Mass
172.125201
InChI
InChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3
InChIKey
APGNXGIUUTWIRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
Molar refractivity
57.61
TPSA
0.0000
LogP / Solubility
WLOGP
3.4
MLOGP
2.99
XLogP3
4.6
Consensus LogP
3.66
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.36
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
