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CAS 315-43-5 2,2,2-TRIFLUORO-1-O-TOLYL-ETHYLAMINE HCl molecular structure lightbox
CAS RN: 315-43-5

2,2,2-TRIFLUORO-1-O-TOLYL-ETHYLAMINE HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 250mg In stock Shanghai Inquiry
  • Product code: SSC-136888
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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: 1g
  • 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 315-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

315-43-5 / 2,2,2-trifluoro-1-(2-methylphenyl)ethanamine;hydrochloride

Standard CAS: 315-43-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
315-43-5
Multi CAS
Yes
Molecular Formula
C9H11CLF3N
Molecular Weight
225.640000
Exact Mass
225.053212
InChI
InChI=1S/C9H10F3N.ClH/c1-6-4-2-3-5-7(6)8(13)9(10,11)12;/h2-5,8H,13H2,1H3;1H
InChIKey
IWPCTLVNAZQVOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.41
TPSA
26.02

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.98
Consensus LogP
2.86
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.98

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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