CAS RN: 678-77-3
HEXAFLUOROGLUTARYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260427 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS678-77-3
- Purity/Analytical Methods: >99.0%
678-77-3 / 2,2,3,3,4,4-hexafluoropentanedioyl dichloride
Basic Information
CAS
678-77-3
Multi CAS
Yes
Molecular Formula
C5CL2F6O2
Molecular Weight
276.950000
Exact Mass
275.917954
InChI
InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
InChIKey
QOLALWJWCONGMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
36.56
TPSA
34.14
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
3.3
Consensus LogP
2.62
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
