CAS RN: 1818294-25-5
S-acetyl-PEG6-Tos
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1818294-25-5
- Purity/Analytical Methods: >99.0%
1818294-25-5 / S-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
Basic Information
CAS
1818294-25-5
Multi CAS
No
Molecular Formula
C21H34O9S2
Molecular Weight
494.600000
Exact Mass
494.164425
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCSC(=O)C
InChI
InChI=1S/C21H34O9S2/c1-19-3-5-21(6-4-19)32(23,24)30-16-15-28-12-11-26-8-7-25-9-10-27-13-14-29-17-18-31-20(2)22/h3-6H,7-18H2,1-2H3
InChIKey
REKKYTBDWPWJBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
20
H-bond acceptors
10
Molar refractivity
121.55
TPSA
106.59
LogP / Solubility
WLOGP
2.06
MLOGP
1.85
XLogP3
1.1
Consensus LogP
1.67
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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S-acetyl-PEG3-t-butyl ester
- CAS RN: 1818294-27-7
- Product Code: starshine_CAS1818294-27-7
- Purity/Analytical method: >99.0%
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