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CAS 929884-90-2 3-BROMO-4-FLUOROBENZOHYDRAZIDE molecular structure lightbox
CAS RN: 929884-90-2

3-BROMO-4-FLUOROBENZOHYDRAZIDE

  • Product code: SSC-206927
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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 929884-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

929884-90-2 / 3-bromo-4-fluorobenzohydrazide

Standard CAS: 929884-90-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
929884-90-2
Multi CAS
No
Molecular Formula
BC7H6N2ORf
Molecular Weight
233.040000
Exact Mass
231.964750
InChI
InChI=1S/C7H6BrFN2O/c8-5-3-4(7(12)11-10)1-2-6(5)9/h1-3H,10H2,(H,11,12)
InChIKey
FQVHUXLJUAYVIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.75
TPSA
55.12

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.3

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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