CAS RN: 565-42-4
2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260604 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: ICTP1834
- Purity/Analytical Methods: >98.0%(GC)
565-42-4 / 2,2,3,3,3-pentafluoropropyl 4-methylbenzenesulfonate
Basic Information
CAS
565-42-4
Multi CAS
Yes
Molecular Formula
C10F5H9O3S
Molecular Weight
304.240000
Exact Mass
304.019256
InChI
InChI=1S/C10H9F5O3S/c1-7-2-4-8(5-3-7)19(16,17)18-6-9(11,12)10(13,14)15/h2-5H,6H2,1H3
InChIKey
JBHQQXONFHOEQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
55.32
TPSA
43.37
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
3.2
Consensus LogP
2.89
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-2.52
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
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