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CAS 2353409-58-0 N-(Azido-PEG3)-N-bis(PEG4-Boc) molecular structure lightbox
CAS RN: 2353409-58-0

N-(Azido-PEG3)-N-bis(PEG4-Boc)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS2353409-58-0
  • Purity/Analytical Methods: >99.0%
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2353409-58-0 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2353409-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-58-0
Multi CAS
No
Molecular Formula
C38H74N4O15
Molecular Weight
827.000000
Exact Mass
826.515068
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C38H74N4O15/c1-37(2,3)56-35(43)7-13-45-19-25-51-31-33-54-29-23-49-17-11-42(10-16-48-22-28-53-27-21-47-15-9-40-41-39)12-18-50-24-30-55-34-32-52-26-20-46-14-8-36(44)57-38(4,5)6/h7-34H2,1-6H3
InChIKey
IYNIRASVYTYNIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Fraction Csp3
0.95
Rotatable bonds
42
H-bond acceptors
17
Molar refractivity
210.39
TPSA
206.13

LogP / Solubility

WLOGP
3.24
MLOGP
2.93
XLogP3
1.2
Consensus LogP
2.46
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.77
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)
-5.46

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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