CAS RN: 392-22-3
2-CHLORO-6-FLUOROCINNAMIC ACID
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.20260527 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS392-22-3
- Purity/Analytical Methods: >99.0%
392-22-3 / 3-(2-chloro-6-fluorophenyl)prop-2-enoic acid
Basic Information
CAS
392-22-3
Multi CAS
Yes
Molecular Formula
C9H6CLFO2
Molecular Weight
200.590000
Exact Mass
200.004035
InChI
InChI=1S/C9H6ClFO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)
InChIKey
NDWALECYVLNBQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.08
TPSA
37.3
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.11
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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