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CAS 456-25-7 4-carboxybenzediazonium tetrafluoroborate molecular structure lightbox
CAS RN: 456-25-7

4-carboxybenzediazonium tetrafluoroborate

  • Product code: SSC-153327
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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: 0.1g, 0.25g, 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 456-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

456-25-7 / 4-carboxybenzenediazonium tetrafluoroborate

Standard CAS: 456-25-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
456-25-7
Multi CAS
Yes
Molecular Formula
BC7F4H5N2O2
Molecular Weight
235.930000
Exact Mass
236.038020
InChI
InChI=1S/C7H4N2O2.BF4/c8-9-6-3-1-5(2-4-6)7(10)11;2-1(3,4)5/h1-4H;/q;-1/p+1
InChIKey
WJUGUJAKMLVFLL-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.33
TPSA
65.45

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3.17
Consensus LogP
3.04
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.91

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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