CAS RN: 149209-48-3
6-Iodo-2-trifluoromethylphenol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS149209-48-3
- Purity/Analytical Methods: >99.0%
149209-48-3 / 2-iodo-6-(trifluoromethyl)phenol
Basic Information
CAS
149209-48-3
Multi CAS
No
Molecular Formula
C7H4F3IO
Molecular Weight
288.010000
Exact Mass
287.925900
SMILES
C1=CC(=C(C(=C1)I)O)C(F)(F)F
InChI
InChI=1S/C7H4F3IO/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3,12H
InChIKey
NDHFOURDXWPNRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.83
TPSA
20.23
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.1
Consensus LogP
2.93
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.34
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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