CAS RN: 214400-66-5
2,6-diiodo-4-(trifluoromethyl)aniline
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 10g | Out of stock | Inquiry | |
| Batchno.20260203 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250910 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260329 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS214400-66-5
- Purity/Analytical Methods: >99.0%
214400-66-5 / 2,6-diiodo-4-(trifluoromethyl)aniline
Basic Information
CAS
214400-66-5
Multi CAS
No
Molecular Formula
C7H4F3I2N
Molecular Weight
412.920000
Exact Mass
412.838530
SMILES
C1=C(C=C(C(=C1I)N)I)C(F)(F)F
InChI
InChI=1S/C7H4F3I2N/c8-7(9,10)3-1-4(11)6(13)5(12)2-3/h1-2H,13H2
InChIKey
AHAXEDWMWOZVQJ-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
61.29
TPSA
26.02
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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
Yes
Log Kp (skin permeation)
-2.76
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
Customers Also Viewed
-
![CAS 214402-34-3 Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4R)- (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4R)- (9CI)
- CAS RN: 214402-34-3
- Product Code: starshine_CAS214402-34-3
- Purity/Analytical method: >99.0%
-
-
-
4-(4-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
- CAS RN: 214416-39-4
- Product Code: starshine_CAS214416-39-4
- Purity/Analytical method: >99.0%
-
4-CHLORO-2-PHENYLTHIENO[3,2-D]PYRIMIDINE
- CAS RN: 214417-22-8
- Product Code: starshine_CAS214417-22-8
- Purity/Analytical method: >99.0%
-
![CAS 214402-34-3 Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (4R)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/214402-34-3.gif)
![CAS 214417-22-8 4-CHLORO-2-PHENYLTHIENO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2333076.gif)
