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CAS 2353410-13-4 CHO-PEG8-azide molecular structure lightbox
CAS RN: 2353410-13-4

CHO-PEG8-azide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2353410-13-4
  • Purity/Analytical Methods: >99.0%
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2353410-13-4 / 2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde

Standard CAS: 2353410-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353410-13-4
Multi CAS
No
Molecular Formula
C18H35N3O9
Molecular Weight
437.500000
Exact Mass
437.237330
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCC=O)N=[N+]=[N-]
InChI
InChI=1S/C18H35N3O9/c19-21-20-1-3-23-5-7-25-9-11-27-13-15-29-17-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h2H,1,3-18H2
InChIKey
MDBICGYCCGZSLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.94
Rotatable bonds
26
H-bond acceptors
10
Molar refractivity
106.63
TPSA
139.67

LogP / Solubility

WLOGP
0.63
MLOGP
0.58
XLogP3
-0.5
Consensus LogP
0.24
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.15
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)
-4.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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