CAS RN: 169289-58-1
METHYL PERFLUORO-3,6,9-TRIOXADECANOATE
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.20250903 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS169289-58-1
- Purity/Analytical Methods: >99.0%
169289-58-1 / methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetate
Basic Information
CAS
169289-58-1
Multi CAS
No
Molecular Formula
C8H3F13O5
Molecular Weight
426.080000
Exact Mass
425.977289
SMILES
COC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O5/c1-23-2(22)3(9,10)24-4(11,12)5(13,14)25-6(15,16)7(17,18)26-8(19,20)21/h1H3
InChIKey
USFGKFMVGHXGNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
46.06
TPSA
53.99
LogP / Solubility
WLOGP
3.69
MLOGP
3.28
XLogP3
4.7
Consensus LogP
3.89
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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