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CAS 2093152-80-6 N-(Azido-PEG4)-N-bis(PEG4-acid) HCl salt molecular structure lightbox
CAS RN: 2093152-80-6

N-(Azido-PEG4)-N-bis(PEG4-acid) HCl salt

  • Product code: SSC-099121
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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: 0.25g
  • 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 2093152-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

2093152-80-6 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2093152-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093152-80-6
Multi CAS
No
Molecular Formula
C32H62N4O16
Molecular Weight
758.900000
Exact Mass
758.416082
SMILES
C(COCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C32H62N4O16/c33-35-34-3-9-43-15-21-49-27-30-52-24-18-46-12-6-36(4-10-44-16-22-50-28-25-47-19-13-41-7-1-31(37)38)5-11-45-17-23-51-29-26-48-20-14-42-8-2-32(39)40/h1-30H2,(H,37,38)(H,39,40)
InChIKey
RJWVORJINOLNTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.94
Rotatable bonds
45
H-bond acceptors
16
H-bond donors
2
Molar refractivity
184.79
TPSA
237.36

LogP / Solubility

WLOGP
0.75
MLOGP
0.72
XLogP3
-3.9
Consensus LogP
-0.81
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.61
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)
-6.82

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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