CAS RN: 551002-42-7
2,4-difluoro-6-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.20250120 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS551002-42-7
- Purity/Analytical Methods: >99.0%
551002-42-7 / 2,4-difluoro-6-iodophenol
Basic Information
CAS
551002-42-7
Multi CAS
No
Molecular Formula
C6F2H3IO
Molecular Weight
255.990000
Exact Mass
255.919670
InChI
InChI=1S/C6H3F2IO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
DNTJGBIQTKFVRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.74
TPSA
20.23
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.67
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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