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CAS 1427396-65-3 3-TrifluoroMethoxybenzylhydrazine dihydrochloride molecular structure lightbox
CAS RN: 1427396-65-3

3-TrifluoroMethoxybenzylhydrazine dihydrochloride

  • Product code: SSC-053751
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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 1427396-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1427396-65-3 / [3-(trifluoromethoxy)phenyl]methylhydrazine;dihydrochloride

Standard CAS: 1427396-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427396-65-3
Multi CAS
No
Molecular Formula
C8H11Cl2F3N2O
Molecular Weight
279.080000
Exact Mass
278.020053
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CNN.Cl.Cl
InChI
InChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)14-7-3-1-2-6(4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H
InChIKey
IDWPMZVRJVJYMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.65
TPSA
47.28

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.39
Consensus LogP
2.3
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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