CAS RN: 452-79-9
3-FLUORO-4-IODOTOLUENE
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.20250408 | 25g / 100g / 500g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-153011
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 5g, 25g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
452-79-9 / 2-fluoro-1-iodo-4-methylbenzene
Basic Information
CAS
452-79-9
Multi CAS
No
Molecular Formula
C7FH6I
Molecular Weight
236.020000
Exact Mass
235.949830
InChI
InChI=1S/C7H6FI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
XVHYSMVSLDIUCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
43.85
TPSA
0.0000
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.22
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
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N1-(2-FLUORO-5-NITROPHENYL)ACETAMIDE
- CAS RN: 454-07-9
- Product Code: starshine_CAS454-07-9
- Purity/Analytical method: >99.0%
