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CAS 2182601-80-3 Azido-PEG8-CH2CO2-PFP molecular structure lightbox
CAS RN: 2182601-80-3

Azido-PEG8-CH2CO2-PFP

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2 package records0 with current stock2 grade groups
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Batchno.20260107 100mg Out of stock 15 business days Inquiry
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Batchno.20250815 100mg Out of stock Inquiry
  • Product code: starshine_CAS2182601-80-3
  • Purity/Analytical Methods: >99.0%
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2182601-80-3 / (2,3,4,5,6-pentafluorophenyl) 2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

Standard CAS: 2182601-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2182601-80-3
Multi CAS
No
Molecular Formula
C24H34F5N3O10
Molecular Weight
619.500000
Exact Mass
619.216435
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N=[N+]=[N-]
InChI
InChI=1S/C24H34F5N3O10/c25-19-20(26)22(28)24(23(29)21(19)27)42-18(33)17-41-16-15-40-14-13-39-12-11-38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-31-32-30/h1-17H2
InChIKey
JAGMBOXHJXUFJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
27
H-bond acceptors
11
Molar refractivity
132.43
TPSA
148.9

LogP / Solubility

WLOGP
2.73
MLOGP
2.45
XLogP3
1.9
Consensus LogP
2.36
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-4.56

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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