CAS RN: 1050500-41-8
PEG13-Tos
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-006829
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 | Beijing | Inquiry |
1050500-41-8 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
PEG13-Tos | PEG12-Tos | Tos-PEG12
Basic Information
CAS
1050500-41-8
Multi CAS
No
Molecular Formula
C31H56O15S
Molecular Weight
700.800000
Exact Mass
700.333992
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C31H56O15S/c1-30-2-4-31(5-3-30)47(33,34)46-29-28-45-27-26-44-25-24-43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-9-8-35-7-6-32/h2-5,32H,6-29H2,1H3
InChIKey
CXFHSAUILDFVJJ-UHFFFAOYSA-N
Synonyms
PEG13-Tos
PEG12-Tos
Tos-PEG12
MFCD28334511
Tos-PEG12-OH
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
37
H-bond acceptors
15
H-bond donors
1
Molar refractivity
170.41
TPSA
165.13
LogP / Solubility
WLOGP
0.88
MLOGP
0.83
XLogP3
-0.9
Consensus LogP
0.27
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-6.37
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
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