CAS RN: 852569-36-9
4-Chloro-2-iodo-5-(trifluoromethyl)aniline
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.20251217 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS852569-36-9
- Purity/Analytical Methods: >99.0%
852569-36-9 / 4-chloro-2-iodo-5-(trifluoromethyl)aniline
Basic Information
CAS
852569-36-9
Multi CAS
No
Molecular Formula
C7H4CLF3IN
Molecular Weight
321.460000
Exact Mass
320.902910
InChI
InChI=1S/C7H4ClF3IN/c8-4-2-5(12)6(13)1-3(4)7(9,10)11/h1-2H,13H2
InChIKey
UIAJGKPIEJXINZ-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
53.58
TPSA
26.02
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.36
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
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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