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CAS 2030118-14-8 N3-PEG4-CHO molecular structure lightbox
CAS RN: 2030118-14-8

N3-PEG4-CHO

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2030118-14-8
  • Purity/Analytical Methods: >99.0%
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2030118-14-8 / 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanal

Standard CAS: 2030118-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2030118-14-8
Multi CAS
No
Molecular Formula
C11H21N3O5
Molecular Weight
275.300000
Exact Mass
275.148121
SMILES
C(COCCOCCOCCOCCN=[N+]=[N-])C=O
InChI
InChI=1S/C11H21N3O5/c12-14-13-2-5-17-7-9-19-11-10-18-8-6-16-4-1-3-15/h3H,1-2,4-11H2
InChIKey
QOWLQMPHQXRVBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
67.97
TPSA
102.75

LogP / Solubility

WLOGP
0.95
MLOGP
0.85
Consensus LogP
0.6
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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