CAS RN: 42749-27-9
Hexaethylene Glycol Di-p-toluenesulfonate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260624 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260214 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260212 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 30 business days | Inquiry |
| Batchno.20260621 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251103 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-151013
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
42749-27-9 / 2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
42749-27-9
Multi CAS
Yes
Molecular Formula
C26H38O11S2
Molecular Weight
590.700000
Exact Mass
590.185554
InChI
InChI=1S/C26H38O11S2/c1-23-3-7-25(8-4-23)38(27,28)36-21-19-34-17-15-32-13-11-31-12-14-33-16-18-35-20-22-37-39(29,30)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3
InChIKey
ZIZXHPCBPDNLDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
22
H-bond acceptors
11
Molar refractivity
142.73
TPSA
132.89
LogP / Solubility
WLOGP
2.5
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
