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CAS 17285-37-9 4,6-dichloropyridazin-3-ol molecular structure lightbox
CAS RN: 17285-37-9

4,6-dichloropyridazin-3-ol

  • Product code: SSC-075939
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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 17285-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17285-37-9 / 3,5-dichloro-1H-pyridazin-6-one

Standard CAS: 17285-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17285-37-9
Multi CAS
No
Molecular Formula
C4H2Cl2N2O
Molecular Weight
164.970000
Exact Mass
163.954418
SMILES
C1=C(C(=O)NN=C1Cl)Cl
InChI
InChI=1S/C4H2Cl2N2O/c5-2-1-3(6)7-8-4(2)9/h1H,(H,8,9)
InChIKey
WUEIRRXSGRRWKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.88
TPSA
45.75

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
1.2
Consensus LogP
1.07
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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