CAS RN: 549547-33-3
4-(4-chlorophenoxy)-3,5-difluoroaniline
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.20250626 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS549547-33-3
- Purity/Analytical Methods: >99.0%
549547-33-3 / 4-(4-chlorophenoxy)-3,5-difluoroaniline
Basic Information
CAS
549547-33-3
Multi CAS
No
Molecular Formula
C12H8CLF2NO
Molecular Weight
255.650000
Exact Mass
255.026248
InChI
InChI=1S/C12H8ClF2NO/c13-7-1-3-9(4-2-7)17-12-10(14)5-8(16)6-11(12)15/h1-6H,16H2
InChIKey
TVINDEPPMFUWBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.3
TPSA
35.25
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.7
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
Yes
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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