CAS RN: 5310-68-9
4-Chlorophenylsulfur Pentafluoride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTC2583
- Purity/Analytical Methods: >98.0%(GC)
5310-68-9 / (4-chlorophenyl)-pentafluoro-lambda6-sulfane
Basic Information
CAS
5310-68-9
Multi CAS
No
Molecular Formula
C6H4CLF5S
Molecular Weight
238.610000
Exact Mass
237.964240
InChI
InChI=1S/C6H4ClF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey
AZOPETVFRMSFNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
42.85
TPSA
1.0000
LogP / Solubility
WLOGP
5
MLOGP
4.4
XLogP3
5.8
Consensus LogP
5.07
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 774-93-6
- Product Code: ICTB3867
- Purity/Analytical method: >96.0%(GC)
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