CAS RN: 84131-04-4
Tosylate of Triethylene glycol monobenzyl ether
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 100g | Out of stock | Inquiry | |
| Batchno.20250824 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251101 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260623 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250118 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250408 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-191717
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
84131-04-4 / 2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
84131-04-4
Multi CAS
No
Molecular Formula
C20H26O6S
Molecular Weight
394.500000
Exact Mass
394.145010
InChI
InChI=1S/C20H26O6S/c1-18-7-9-20(10-8-18)27(21,22)26-16-15-24-12-11-23-13-14-25-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3
InChIKey
SULYUXLJHONROP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
13
H-bond acceptors
6
Molar refractivity
102.05
TPSA
71.06
LogP / Solubility
WLOGP
2.95
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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