CAS RN: 89807-87-4
(NONAFLUORO-N-BUTYL)EPOXIDE
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.20251128 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89807-87-4
- Purity/Analytical Methods: >99.0%
89807-87-4 / 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
Basic Information
CAS
89807-87-4
Multi CAS
Yes
Molecular Formula
C6F9H3O
Molecular Weight
262.070000
Exact Mass
262.004018
InChI
InChI=1S/C6H3F9O/c7-3(8,2-1-16-2)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
QHHCBVYZWRKFLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
30.64
TPSA
12.53
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.29
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
2
