CAS RN: 212190-25-5
4,4,4-TRIFLUORO-BUTANE-1-SULFONYL CHLORIDE
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.20260218 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS212190-25-5
- Purity/Analytical Methods: >99.0%
212190-25-5 / 4,4,4-trifluorobutane-1-sulfonyl chloride
Basic Information
CAS
212190-25-5
Multi CAS
No
Molecular Formula
C4H6ClF3O2S
Molecular Weight
210.600000
Exact Mass
209.972913
SMILES
C(CC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C4H6ClF3O2S/c5-11(9,10)3-1-2-4(6,7)8/h1-3H2
InChIKey
FCBIRUMSQYSMOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
34.93
TPSA
34.14
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
2.2
Consensus LogP
1.92
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 212210-87-2 DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/212210-87-2.gif)
