CAS RN: 1453117-42-4
Tos-PEG4-acid
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.20260616 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-056646
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 |
1453117-42-4 / 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1453117-42-4
Multi CAS
No
Molecular Formula
C16H24O8S
Molecular Weight
376.400000
Exact Mass
376.119189
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C16H24O8S/c1-14-2-4-15(5-3-14)25(19,20)24-13-12-23-11-10-22-9-8-21-7-6-16(17)18/h2-5H,6-13H2,1H3,(H,17,18)
InChIKey
BAXYSSILQKCWFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
89.03
TPSA
108.36
LogP / Solubility
WLOGP
1.22
MLOGP
1.1
XLogP3
0.5
Consensus LogP
0.94
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly 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)
-4.15
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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