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CAS 262296-39-9 2-AMino-4,4,4-trifluorobutanoic acid hydrochloride molecular structure lightbox
CAS RN: 262296-39-9

2-AMino-4,4,4-trifluorobutanoic acid hydrochloride

  • Product code: SSC-123460
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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 262296-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

262296-39-9 / 2-amino-4,4,4-trifluorobutanoic acid;hydrochloride

Standard CAS: 262296-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
262296-39-9
Multi CAS
No
Molecular Formula
C4H7ClF3NO2
Molecular Weight
193.550000
Exact Mass
193.011741
SMILES
C(C(C(=O)O)N)C(F)(F)F.Cl
InChI
InChI=1S/C4H6F3NO2.ClH/c5-4(6,7)1-2(8)3(9)10;/h2H,1,8H2,(H,9,10);1H
InChIKey
YJTBBIHZBGVKSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.53
TPSA
63.32

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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