CAS RN: 441771-60-4
3,6,9,12,15,18-Hexaoxanonadecane-1-thiol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251004 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-152183
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, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
441771-60-4 / 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
441771-60-4
Multi CAS
Yes
Molecular Formula
C13H28O6S
Molecular Weight
312.420000
Exact Mass
312.160660
InChI
InChI=1S/C13H28O6S/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13-20/h20H,2-13H2,1H3
InChIKey
FCNSUDTWFXNQBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
79.82
TPSA
55.38
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
-0.4
Consensus LogP
0.28
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17
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
1.5
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