CAS RN: 143726-98-1
1,2-difluoro-4-(trichloromethyl)benzene
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.20250116 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS143726-98-1
- Purity/Analytical Methods: >99.0%
143726-98-1 / 1,2-difluoro-4-(trichloromethyl)benzene
Basic Information
CAS
143726-98-1
Multi CAS
No
Molecular Formula
C7H3Cl3F2
Molecular Weight
231.400000
Exact Mass
229.926840
SMILES
C1=CC(=C(C=C1C(Cl)(Cl)Cl)F)F
InChI
InChI=1S/C7H3Cl3F2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H
InChIKey
KAVHKCGLLMKDAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
45.6
TPSA
0.0000
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.7
Consensus LogP
3.61
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.44
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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