CAS RN: 5927-65-1
7H-PERFLUOROHEPTANOYL FLUORIDE
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.20250519 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5927-65-1
- Purity/Analytical Methods: >99.0%
5927-65-1 / 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
Basic Information
CAS
5927-65-1
Multi CAS
No
Molecular Formula
C7F13HO
Molecular Weight
348.060000
Exact Mass
347.981981
InChI
InChI=1S/C7HF13O/c8-1(9)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(10)21/h1H
InChIKey
ZEZLMEWVHJPIDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
36.85
TPSA
17.07
LogP / Solubility
WLOGP
3.92
MLOGP
3.47
XLogP3
4.5
Consensus LogP
3.96
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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