CAS RN: 130727-44-5
(1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL&
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.20250207 | 100mg | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-037306
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: 0.1g
- Available purity: >95%
- Inventory rows with stock: 1
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
130727-44-5 / 2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
130727-44-5
Multi CAS
No
Molecular Formula
C23H48O7S
Molecular Weight
468.700000
Exact Mass
468.312075
SMILES
C(CCCCCOCCOCCOCCOCCOCCOCCO)CCCCCS
InChI
InChI=1S/C23H48O7S/c24-10-12-26-14-16-28-18-20-30-22-21-29-19-17-27-15-13-25-11-8-6-4-2-1-3-5-7-9-23-31/h24,31H,1-23H2
InChIKey
QYKSUHRPPSCIFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
8
H-bond donors
2
Molar refractivity
127.41
TPSA
75.61
LogP / Solubility
WLOGP
3.52
MLOGP
3.13
XLogP3
3.1
Consensus LogP
3.25
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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