CAS RN: 2144777-92-2
Azido-PEG5-CH2CO2-PFP
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250311 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2144777-92-2
- Purity/Analytical Methods: >99.0%
2144777-92-2 / (2,3,4,5,6-pentafluorophenyl) 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
Basic Information
CAS
2144777-92-2
Multi CAS
No
Molecular Formula
C18H22F5N3O7
Molecular Weight
487.400000
Exact Mass
487.137791
SMILES
C(COCCOCCOCCOCCOCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N=[N+]=[N-]
InChI
InChI=1S/C18H22F5N3O7/c19-13-14(20)16(22)18(17(23)15(13)21)33-12(27)11-32-10-9-31-8-7-30-6-5-29-4-3-28-2-1-25-26-24/h1-11H2
InChIKey
NITGTHWASXRERB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
18
H-bond acceptors
8
Molar refractivity
99.98
TPSA
121.21
LogP / Solubility
WLOGP
2.68
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.21
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
Yes
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
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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