CAS RN: 2093152-87-3
N-(Boc-PEG5)-N-bis(PEG4-acid)
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.20260505 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2093152-87-3
- Purity/Analytical Methods: >99.0%
2093152-87-3 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2093152-87-3
Multi CAS
No
Molecular Formula
C39H76N2O19
Molecular Weight
877.000000
Exact Mass
876.504228
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C39H76N2O19/c1-39(2,3)60-38(46)40-6-12-49-18-24-55-30-34-59-35-33-58-27-21-52-15-9-41(7-13-50-19-25-56-31-28-53-22-16-47-10-4-36(42)43)8-14-51-20-26-57-32-29-54-23-17-48-11-5-37(44)45/h4-35H2,1-3H3,(H,40,46)(H,42,43)(H,44,45)
InChIKey
VGFYGSVGACOQAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Fraction Csp3
0.92
Rotatable bonds
48
H-bond acceptors
18
H-bond donors
3
Molar refractivity
215.83
TPSA
236.16
LogP / Solubility
WLOGP
0.98
MLOGP
0.94
XLogP3
-4.2
Consensus LogP
-0.76
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
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)
-7.38
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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