CAS RN: 791-22-0
2,2′-(2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diyl)bis(oxirane)
- Product code: SSC-188326
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
791-22-0 / 2-[2,2,3,3,4,4,5,5-octafluoro-6-(oxiran-2-yl)hexyl]oxirane
Basic Information
CAS
791-22-0
Multi CAS
No
Molecular Formula
C10F8H10O2
Molecular Weight
314.170000
Exact Mass
314.055305
InChI
InChI=1S/C10H10F8O2/c11-7(12,1-5-3-19-5)9(15,16)10(17,18)8(13,14)2-6-4-20-6/h5-6H,1-4H2
InChIKey
KVSHGEMJMXSNTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
48.5
TPSA
25.06
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
