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CAS 643088-07-7 2-FLUORO-6-TRIFLUOROMETHYL-BENZYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 643088-07-7

2-FLUORO-6-TRIFLUOROMETHYL-BENZYLAMINE HYDROCHLORIDE

  • Product code: SSC-174089
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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 643088-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

643088-07-7 / [2-fluoro-6-(trifluoromethyl)phenyl]methanamine;hydrochloride

Standard CAS: 643088-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
643088-07-7
Multi CAS
No
Molecular Formula
C8H8CLF4N
Molecular Weight
229.600000
Exact Mass
229.028140
InChI
InChI=1S/C8H7F4N.ClH/c9-7-3-1-2-6(5(7)4-13)8(10,11)12;/h1-3H,4,13H2;1H
InChIKey
YSYBSZNUTHPMGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.54
TPSA
26.02

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.19

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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