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CAS 946786-20-5 4-(4-FLUOROPHENOXY)-2-METHYLANILINE molecular structure lightbox
CAS RN: 946786-20-5

4-(4-FLUOROPHENOXY)-2-METHYLANILINE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100mg In stock Shanghai Inquiry
Batchno.20250306 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251006 1g In stock Tianjin Inquiry
Batchno.20260328 250mg In stock Shanghai Inquiry
Batchno.20260202 5g Out of stock Inquiry
  • Product code: starshine_CAS946786-20-5
  • Purity/Analytical Methods: >99.0%
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946786-20-5 / 4-(4-fluorophenoxy)-2-methylaniline

Standard CAS: 946786-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946786-20-5
Multi CAS
No
Molecular Formula
C13FH12NO
Molecular Weight
217.240000
Exact Mass
217.090292
InChI
InChI=1S/C13H12FNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
InChIKey
XGIQHJPZLVXVKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.07
TPSA
35.25

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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