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CAS 1263064-36-3 3,4,5-trifluorobenzohydrazide molecular structure lightbox
CAS RN: 1263064-36-3

3,4,5-trifluorobenzohydrazide

  • Product code: SSC-033323
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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 1263064-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1263064-36-3 / 3,4,5-trifluorobenzohydrazide

Standard CAS: 1263064-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263064-36-3
Multi CAS
No
Molecular Formula
C7H5F3N2O
Molecular Weight
190.120000
Exact Mass
190.035397
SMILES
C1=C(C=C(C(=C1F)F)F)C(=O)NN
InChI
InChI=1S/C7H5F3N2O/c8-4-1-3(7(13)12-11)2-5(9)6(4)10/h1-2H,11H2,(H,12,13)
InChIKey
OBNAXEXVXCKFQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.97
TPSA
55.12

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.8
Consensus LogP
0.71
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.38

Drug-likeness / Medicinal Chemistry

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

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