CAS RN: 2368-53-8
1,3-Dichloro-2,4,6-trifluorobenzene
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-115186
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2368-53-8 / 2,4-dichloro-1,3,5-trifluorobenzene
Basic Information
CAS
2368-53-8
Multi CAS
No
Molecular Formula
C6HCl2F3
Molecular Weight
200.970000
Exact Mass
199.940740
SMILES
C1=C(C(=C(C(=C1F)Cl)F)Cl)F
InChI
InChI=1S/C6HCl2F3/c7-4-2(9)1-3(10)5(8)6(4)11/h1H
InChIKey
UOGVNYNJSZHQCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
36.34
TPSA
0.0000
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.52
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
