CAS RN: 933674-81-8
2-CHLORO-5-TRIFLUOROMETHYLSULFANYL-PHENYLAMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260305 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS933674-81-8
- Purity/Analytical Methods: >99.0%
933674-81-8 / 2-chloro-5-(trifluoromethylsulfanyl)aniline
Basic Information
CAS
933674-81-8
Multi CAS
No
Molecular Formula
C7H5CLF3NS
Molecular Weight
227.640000
Exact Mass
226.978333
InChI
InChI=1S/C7H5ClF3NS/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2
InChIKey
WAYPFRRKQUBFII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.78
TPSA
26.02
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
4
Consensus LogP
3.55
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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