CAS RN: 1817735-35-5
1,1,1-Trifluoroethyl-PEG4-azide
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.20251219 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1817735-35-5
- Purity/Analytical Methods: >99.0%
1817735-35-5 / 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-1,1,1-trifluoroethane
Basic Information
CAS
1817735-35-5
Multi CAS
No
Molecular Formula
C10H18F3N3O4
Molecular Weight
301.260000
Exact Mass
301.124941
SMILES
C(COCCOCCOCCOCC(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C10H18F3N3O4/c11-10(12,13)9-20-8-7-19-6-5-18-4-3-17-2-1-15-16-14/h1-9H2
InChIKey
BHMFBNPYALGJKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
5
Molar refractivity
63.34
TPSA
85.68
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
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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