CAS RN: 320-53-6
2,4-dichloro-5-(trifluoromethyl)benzenamine
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.20250425 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS320-53-6
- Purity/Analytical Methods: >99.0%
320-53-6 / 2,4-dichloro-5-(trifluoromethyl)aniline
Basic Information
CAS
320-53-6
Multi CAS
No
Molecular Formula
C7H4CL2F3N
Molecular Weight
230.010000
Exact Mass
228.967289
InChI
InChI=1S/C7H4Cl2F3N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
InChIKey
YECYUHRFXUFJRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.88
TPSA
26.02
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.57
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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