CAS RN: 2182601-77-8
N-(Azido-PEG4)-N-bis(PEG4-NHS ester)
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.20250807 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2182601-77-8
- Purity/Analytical Methods: >99.0%
2182601-77-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2182601-77-8
Multi CAS
No
Molecular Formula
C40H68N6O20
Molecular Weight
953.000000
Exact Mass
952.448839
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C40H68N6O20/c41-43-42-7-13-55-19-25-61-31-34-64-28-22-58-16-10-44(8-14-56-20-26-62-32-29-59-23-17-53-11-5-39(51)65-45-35(47)1-2-36(45)48)9-15-57-21-27-63-33-30-60-24-18-54-12-6-40(52)66-46-37(49)3-4-38(46)50/h1-34H2
InChIKey
SZQXOKLTRWLWON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Fraction Csp3
0.85
Rotatable bonds
47
H-bond acceptors
22
Molar refractivity
223.87
TPSA
290.12
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.09
XLogP3
-2.7
Consensus LogP
-1
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.68
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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