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CAS 1284180-11-5 3-((4-(TrifluoroMethyl)phenyl)aMino)benzoic acid molecular structure lightbox
CAS RN: 1284180-11-5

3-((4-(TrifluoroMethyl)phenyl)aMino)benzoic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100mg In stock Tianjin Inquiry
Batchno.20260523 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250523 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251121 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS1284180-11-5
  • Purity/Analytical Methods: >99.0%
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1284180-11-5 / 3-[4-(trifluoromethyl)anilino]benzoic acid

Standard CAS: 1284180-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1284180-11-5
Multi CAS
No
Molecular Formula
C14H10F3NO2
Molecular Weight
281.230000
Exact Mass
281.066363
SMILES
C1=CC(=CC(=C1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
InChIKey
MDZIRNPRVJEHHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.13
TPSA
49.33

LogP / Solubility

WLOGP
4.15
MLOGP
3.66
XLogP3
4.6
Consensus LogP
4.14
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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