CAS RN: 141282-25-9
TRT-PEG2-OTOS
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.20250508 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS141282-25-9
- Purity/Analytical Methods: >99.0%
141282-25-9 / 2-(2-trityloxyethoxy)ethyl 4-methylbenzenesulfonate
Basic Information
CAS
141282-25-9
Multi CAS
No
Molecular Formula
C30H30O5S
Molecular Weight
502.600000
Exact Mass
502.181395
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H30O5S/c1-25-17-19-29(20-18-25)36(31,32)35-24-22-33-21-23-34-30(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-24H2,1H3
InChIKey
OGCXWIWWWSAUPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
140.3
TPSA
61.83
LogP / Solubility
WLOGP
5.73
MLOGP
5.07
XLogP3
5.9
Consensus LogP
5.57
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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- CAS RN: 141286-78-4
- Product Code: starshine_CAS141286-78-4
- Purity/Analytical method: >99.0%
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