CAS RN: 2415937-32-3
4-iodobenzoyl fluoride
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250425 | 10g | Out of stock | Inquiry | ||
| Batchno.20250706 | 1g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250303 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250924 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250711 | 5g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS2415937-32-3
- Purity/Analytical Methods: >99.0%
2415937-32-3 / 4-iodobenzoyl fluoride
Basic Information
CAS
2415937-32-3
Multi CAS
No
Molecular Formula
C7H4FIO
Molecular Weight
250.010000
Exact Mass
249.929090
SMILES
C1=CC(=CC=C1C(=O)F)I
InChI
InChI=1S/C7H4FIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey
XCXDKXQUXUQVAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.6
TPSA
17.07
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
3.5
Consensus LogP
2.67
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.54
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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