CAS RN: 75020-01-8
N-(2-CHLOROBENZYLIDENE)-4-FLUOROANILINE&
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.20251020 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS75020-01-8
- Purity/Analytical Methods: >99.0%
75020-01-8 / 1-(2-chlorophenyl)-N-(4-fluorophenyl)methanimine
Basic Information
CAS
75020-01-8
Multi CAS
No
Molecular Formula
C13H9CLFN
Molecular Weight
233.670000
Exact Mass
233.040755
InChI
InChI=1S/C13H9ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-9H
InChIKey
ATANUIRVTSYJNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.11
TPSA
12.36
LogP / Solubility
WLOGP
4.23
MLOGP
3.73
XLogP3
4.2
Consensus LogP
4.05
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14
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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