CAS RN: 133307-08-1
1,3-Dichloro-2-fluoro-5-iodobenzene
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-039985
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
133307-08-1 / 1,3-dichloro-2-fluoro-5-iodobenzene
Basic Information
CAS
133307-08-1
Multi CAS
No
Molecular Formula
C6H2Cl2FI
Molecular Weight
290.890000
Exact Mass
289.856230
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)I
InChI
InChI=1S/C6H2Cl2FI/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
UCQPKKMSAOKIEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
49.14
TPSA
0.0000
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.9
Consensus LogP
3.65
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
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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