CAS RN: 25340-17-4
Diethylbenzene (mixture)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock3 grade groups
- Product code: SSC-121228
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: 100g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
25340-17-4 / 1,4-diethylbenzene
Basic Information
CAS
25340-17-4
Multi CAS
Yes
Molecular Formula
C10H14
Molecular Weight
134.220000
Exact Mass
134.109550
InChI
InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
DSNHSQKRULAAEI-UHFFFAOYSA-N
Physical Properties
Melting Point
-42.83 °C
Boiling Point
183.7 °C
Density
0.8620 @ 20 °C/4 °C
Physical Description
Liquid
Colorless liquid; [CHEMINFO]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
45.2
TPSA
0.0000
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
