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CAS 2353409-46-6 N-(Boc-PEG2)-N-bis(PEG3-azide) molecular structure lightbox
CAS RN: 2353409-46-6

N-(Boc-PEG2)-N-bis(PEG3-azide)

  • Product code: SSC-114058
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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 2353409-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

2353409-46-6 / tert-butyl 3-[2-[3-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]propanoate

Standard CAS: 2353409-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-46-6
Multi CAS
No
Molecular Formula
C28H53N7O11
Molecular Weight
663.800000
Exact Mass
663.380306
SMILES
CC(C)(C)OC(=O)CCOCCOCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C28H53N7O11/c1-28(2,3)46-27(37)5-11-39-17-16-38-10-4-26(36)35(8-14-42-20-24-44-22-18-40-12-6-31-33-29)9-15-43-21-25-45-23-19-41-13-7-32-34-30/h4-25H2,1-3H3
InChIKey
FPYUXLBOVCGLNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.93
Rotatable bonds
33
H-bond acceptors
13
Molar refractivity
166.24
TPSA
217.97

LogP / Solubility

WLOGP
2.69
MLOGP
2.42
XLogP3
1.1
Consensus LogP
2.07
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.17
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.86

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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