CAS RN: 2353410-03-2
TCO-PEG8-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.20251110 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2353410-03-2
- Purity/Analytical Methods: >99.0%
2353410-03-2 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2353410-03-2
Multi CAS
No
Molecular Formula
C28H51NO12
Molecular Weight
593.700000
Exact Mass
593.341126
SMILES
C1C/C=C/CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C28H51NO12/c30-27(31)8-10-33-12-14-35-16-18-37-20-22-39-24-25-40-23-21-38-19-17-36-15-13-34-11-9-29-28(32)41-26-6-4-2-1-3-5-7-26/h1-2,26H,3-25H2,(H,29,32)(H,30,31)/b2-1+
InChIKey
LIPCJNZAKQKTRV-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.86
Rotatable bonds
28
H-bond acceptors
11
H-bond donors
2
Molar refractivity
149.3
TPSA
149.47
LogP / Solubility
WLOGP
2.21
MLOGP
1.99
XLogP3
0.6
Consensus LogP
1.6
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77
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
4.5
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