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CAS 771583-81-4 4-CHLORO-2-(TRIFLUOROMETHYL)BENZYLAMINE molecular structure lightbox
CAS RN: 771583-81-4

4-CHLORO-2-(TRIFLUOROMETHYL)BENZYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS771583-81-4
  • Purity/Analytical Methods: >99.0%
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771583-81-4 / [4-chloro-2-(trifluoromethyl)phenyl]methanamine

Standard CAS: 771583-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
771583-81-4
Multi CAS
No
Molecular Formula
C8H7CLF3N
Molecular Weight
209.590000
Exact Mass
209.021911
InChI
InChI=1S/C8H7ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2
InChIKey
VPKIGWHSTBKRTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.35
TPSA
26.02

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

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

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