![CAS 524046-23-9 (4-[4-(TRIFLUOROMETHYL)PHENYL]PHENYL)SULFONYLCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/524046-23-9.gif)
CAS RN: 524046-23-9
(4-[4-(TRIFLUOROMETHYL)PHENYL]PHENYL)SULFONYLCHLORIDE
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.20260413 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS524046-23-9
- Purity/Analytical Methods: >99.0%
524046-23-9 / 4-[4-(trifluoromethyl)phenyl]benzenesulfonyl chloride
Basic Information
CAS
524046-23-9
Multi CAS
Yes
Molecular Formula
C13H8CLF3O2S
Molecular Weight
320.710000
Exact Mass
319.988563
InChI
InChI=1S/C13H8ClF3O2S/c14-20(18,19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15,16)17/h1-8H
InChIKey
ULTGKXKNKRJOHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.92
TPSA
34.14
LogP / Solubility
WLOGP
4.3
MLOGP
3.8
XLogP3
4.5
Consensus LogP
4.2
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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