CAS RN: 530080-17-2
4-(2,2,2-TRIFLUOROETHOXY)IODOBENZENE
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.20250715 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS530080-17-2
- Purity/Analytical Methods: >99.0%
530080-17-2 / 1-iodo-4-(2,2,2-trifluoroethoxy)benzene
Basic Information
CAS
530080-17-2
Multi CAS
No
Molecular Formula
C8F3H6IO
Molecular Weight
302.030000
Exact Mass
301.941550
InChI
InChI=1S/C8H6F3IO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5H2
InChIKey
FESYDYJCAHUCAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.71
TPSA
9.23
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.7
Consensus LogP
3.26
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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