CAS RN: 405-18-5
2-phenylethene-1-sulfonyl fluoride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS405-18-5
- Purity/Analytical Methods: >99.0%
405-18-5 / 2-phenylethenesulfonyl fluoride
Basic Information
CAS
405-18-5
Multi CAS
Yes
Molecular Formula
C8FH7O2S
Molecular Weight
186.210000
Exact Mass
186.015079
InChI
InChI=1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
VDCNEIUADPFQPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.5
TPSA
34.14
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
