CAS RN: 1571-86-4
1,4-Dibutylbenzene
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.20250627 | 1ml / 5ml | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-066261
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1571-86-4 / 1,4-dibutylbenzene
Basic Information
CAS
1571-86-4
Multi CAS
No
Molecular Formula
C14H22
Molecular Weight
190.320000
Exact Mass
190.172151
SMILES
CCCCC1=CC=C(C=C1)CCCC
InChI
InChI=1S/C14H22/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKey
VGQOZYOOFXEGDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
Molar refractivity
63.67
TPSA
0.0000
LogP / Solubility
WLOGP
4.37
MLOGP
3.85
XLogP3
5.7
Consensus LogP
4.64
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
