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CAS 5435-32-5 1-(4-bromophenyl)-2H-pyridazine-3,6-dione molecular structure lightbox
CAS RN: 5435-32-5

1-(4-bromophenyl)-2H-pyridazine-3,6-dione

  • Product code: SSC-161983
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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 5435-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5435-32-5 / 2-(4-bromophenyl)-1H-pyridazine-3,6-dione

Standard CAS: 5435-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5435-32-5
Multi CAS
Yes
Molecular Formula
BC10H7O2Rn2
Molecular Weight
267.080000
Exact Mass
265.969090
InChI
InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-10(15)6-5-9(14)12-13/h1-6H,(H,12,14)
InChIKey
DXIIPXGVMBOYRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.36
TPSA
54.86

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.5
Consensus LogP
1.31
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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