CAS RN: 58109-34-5
SEVOFLURANE RELATED COMPOUND A (0.2 ML) (1,1,3,3,3-PENTAFLUOROISOPROPENYL FLUOROMETHYL ETHER)
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.20260420 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58109-34-5
- Purity/Analytical Methods: >99.0%
58109-34-5 / 1,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene
Basic Information
CAS
58109-34-5
Multi CAS
Yes
Molecular Formula
C4F6H2O
Molecular Weight
180.050000
Exact Mass
180.000984
InChI
InChI=1S/C4H2F6O/c5-1-11-2(3(6)7)4(8,9)10/h1H2
InChIKey
VMCHRPIQINOPJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
22.36
TPSA
9.23
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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