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CAS 124573-79-1 (4-FLUORO-PHENYLAMINO)-PHENYL-ACETIC ACID molecular structure lightbox
CAS RN: 124573-79-1

(4-FLUORO-PHENYLAMINO)-PHENYL-ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS124573-79-1
  • Purity/Analytical Methods: >99.0%
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124573-79-1 / 2-(4-fluoroanilino)-2-phenylacetic acid

Standard CAS: 124573-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124573-79-1
Multi CAS
No
Molecular Formula
C14H12FNO2
Molecular Weight
245.250000
Exact Mass
245.085207
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C14H12FNO2/c15-11-6-8-12(9-7-11)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)
InChIKey
MOMPMXYTSHYNQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.84
TPSA
49.33

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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