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CAS 2055041-24-0 Azido-PEG3-S-PEG4-propargyl molecular structure lightbox
CAS RN: 2055041-24-0

Azido-PEG3-S-PEG4-propargyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055041-24-0
  • Purity/Analytical Methods: >99.0%
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2055041-24-0 / 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

Standard CAS: 2055041-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-24-0
Multi CAS
No
Molecular Formula
C19H35N3O7S
Molecular Weight
449.600000
Exact Mass
449.219572
SMILES
C#CCOCCOCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H35N3O7S/c1-2-4-23-6-8-25-10-11-27-13-15-29-17-19-30-18-16-28-14-12-26-9-7-24-5-3-21-22-20/h1H,3-19H2
InChIKey
WWUGRHVDODLKCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.89
Rotatable bonds
25
H-bond acceptors
9
Molar refractivity
115.9
TPSA
113.37

LogP / Solubility

WLOGP
1.78
MLOGP
1.6
XLogP3
0.9
Consensus LogP
1.43
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

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

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