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CAS 74159-77-6 4-(4-chlorophenoxy)-2-(trifluoroMethyl)benzenaMine molecular structure lightbox
CAS RN: 74159-77-6

4-(4-chlorophenoxy)-2-(trifluoroMethyl)benzenaMine

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg Out of stock Inquiry
Batchno.20250628 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-183561
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 74159-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

74159-77-6 / 4-(4-chlorophenoxy)-2-(trifluoromethyl)aniline

Standard CAS: 74159-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74159-77-6
Multi CAS
No
Molecular Formula
C13H9CLF3NO
Molecular Weight
287.660000
Exact Mass
287.032476
InChI
InChI=1S/C13H9ClF3NO/c14-8-1-3-9(4-2-8)19-10-5-6-12(18)11(7-10)13(15,16)17/h1-7H,18H2
InChIKey
MJDSHTMEOISRNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.38
TPSA
35.25

LogP / Solubility

WLOGP
4.73
MLOGP
4.18
XLogP3
4.3
Consensus LogP
4.4
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
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)
-1.11

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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