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CAS 2055041-25-1 N-Boc-N-bis(PEG4-azide) molecular structure lightbox
CAS RN: 2055041-25-1

N-Boc-N-bis(PEG4-azide)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055041-25-1
  • Purity/Analytical Methods: >99.0%
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2055041-25-1 / tert-butyl N,N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2055041-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-25-1
Multi CAS
No
Molecular Formula
C25H49N7O10
Molecular Weight
607.700000
Exact Mass
607.354091
SMILES
CC(C)(C)OC(=O)N(CCOCCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C25H49N7O10/c1-25(2,3)42-24(33)32(6-10-36-14-18-40-22-20-38-16-12-34-8-4-28-30-26)7-11-37-15-19-41-23-21-39-17-13-35-9-5-29-31-27/h4-23H2,1-3H3
InChIKey
RTTMSYUZSFHWJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.96
Rotatable bonds
30
H-bond acceptors
12
Molar refractivity
152.38
TPSA
200.9

LogP / Solubility

WLOGP
2.98
MLOGP
2.67
XLogP3
1.7
Consensus LogP
2.45
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
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)
-4.31

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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