CAS RN: 2055041-59-1
NH-(PEG4-acid)2
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.20260123 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2055041-59-1
- Purity/Analytical Methods: >99.0%
2055041-59-1 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2055041-59-1
Multi CAS
No
Molecular Formula
C22H43NO12
Molecular Weight
513.600000
Exact Mass
513.278526
SMILES
C(COCCOCCOCCOCCNCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H43NO12/c24-21(25)1-5-28-9-13-32-17-19-34-15-11-30-7-3-23-4-8-31-12-16-35-20-18-33-14-10-29-6-2-22(26)27/h23H,1-20H2,(H,24,25)(H,26,27)
InChIKey
QTCFBOYSLWNBKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
11
H-bond donors
3
Molar refractivity
123.93
TPSA
160.47
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.26
XLogP3
-4.7
Consensus LogP
-1.77
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.1
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
2.5
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