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CAS 502496-22-2 (4-FLUORO-3-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 502496-22-2

(4-FLUORO-3-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

  • Product code: SSC-156651
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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: 5g
  • 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 502496-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

502496-22-2 / [4-fluoro-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride

Standard CAS: 502496-22-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
502496-22-2
Multi CAS
Yes
Molecular Formula
C7H7CLF4N2
Molecular Weight
230.590000
Exact Mass
230.023389
InChI
InChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H
InChIKey
KBJZDPPQFFSNDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.46
TPSA
38.05

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.31

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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