![CAS 77544-68-4 Ethanol, 2-[2-(2-hydroxyethoxy)ethoxy]-, 1-(4-Methylbenzenesulfonate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77544-68-4.gif)
CAS RN: 77544-68-4
Ethanol, 2-[2-(2-hydroxyethoxy)ethoxy]-, 1-(4-Methylbenzenesulfonate)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260327 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260518 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250526 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250608 | 25g | Out of stock | Inquiry | |
| Batchno.20260418 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-187116
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, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
77544-68-4 / 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
77544-68-4
Multi CAS
Yes
Molecular Formula
C13H20O6S
Molecular Weight
304.360000
Exact Mass
304.098060
InChI
InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3
InChIKey
RSUCRUOTLCQWFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
73.04
TPSA
82.06
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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