CAS RN: 227609-87-2
(4-Fluoro-3-iodophenyl)methanol
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.20250410 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS227609-87-2
- Purity/Analytical Methods: >99.0%
227609-87-2 / (4-fluoro-3-iodophenyl)methanol
Basic Information
CAS
227609-87-2
Multi CAS
No
Molecular Formula
C7H6FIO
Molecular Weight
252.020000
Exact Mass
251.944740
SMILES
C1=CC(=C(C=C1CO)I)F
InChI
InChI=1S/C7H6FIO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
KUENOVPEGWQHMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.04
TPSA
20.23
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.89
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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