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CAS 2353409-90-0 N-(Azido-PEG4)-N-bis(PEG4-NHS ester) molecular structure lightbox
CAS RN: 2353409-90-0

N-(Azido-PEG4)-N-bis(PEG4-NHS ester)

  • Product code: SSC-114064
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2353409-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2353409-90-0 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoyl-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2353409-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-90-0
Multi CAS
No
Molecular Formula
C41H68N6O21
Molecular Weight
981.000000
Exact Mass
980.443753
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C41H68N6O21/c42-44-43-8-14-58-20-26-64-32-29-61-23-17-55-11-5-35(48)45(9-15-59-21-27-65-33-30-62-24-18-56-12-6-40(53)67-46-36(49)1-2-37(46)50)10-16-60-22-28-66-34-31-63-25-19-57-13-7-41(54)68-47-38(51)3-4-39(47)52/h1-34H2
InChIKey
OYVKKJHNNQYSIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Fraction Csp3
0.83
Rotatable bonds
47
H-bond acceptors
22
Molar refractivity
228.63
TPSA
307.19

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.16
XLogP3
-3.3
Consensus LogP
-1.25
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
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)
-8.91

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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