CAS RN: 186589-87-7
5-fluoro-2-iodophenol
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.20250601 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS186589-87-7
- Purity/Analytical Methods: >99.0%
186589-87-7 / 5-fluoro-2-iodophenol
Basic Information
CAS
186589-87-7
Multi CAS
No
Molecular Formula
C6H4FIO
Molecular Weight
238.000000
Exact Mass
237.929090
SMILES
C1=CC(=C(C=C1F)O)I
InChI
InChI=1S/C6H4FIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
DZXUERYVERNFQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.78
TPSA
20.23
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.66
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
