CAS RN: 63863-43-4
METHYL PERFLUORO(5-METHYL-4,7-DIOXANON-8-ENOATE)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250211 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS63863-43-4
- Purity/Analytical Methods: >99.0%
63863-43-4 / methyl 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate
Basic Information
CAS
63863-43-4
Multi CAS
No
Molecular Formula
C9F13H3O4
Molecular Weight
422.100000
Exact Mass
421.982375
InChI
InChI=1S/C9H3F13O4/c1-24-4(23)5(13,14)8(19,20)26-6(15,7(16,17)18)9(21,22)25-3(12)2(10)11/h1H3
InChIKey
OVAULROCPRKKJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
49.27
TPSA
44.76
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
4.6
Consensus LogP
4.22
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26
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
3
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