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CAS 50681-26-0 6-CHLORO-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 50681-26-0

6-CHLORO-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXYLIC ACID

  • Product code: SSC-157298
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 50681-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

50681-26-0 / 3-chloro-6-oxo-1H-pyridazine-5-carboxylic acid

Standard CAS: 50681-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50681-26-0
Multi CAS
Yes
Molecular Formula
C5H3CLN2O3
Molecular Weight
174.540000
Exact Mass
173.983220
InChI
InChI=1S/C5H3ClN2O3/c6-3-1-2(5(10)11)4(9)8-7-3/h1H,(H,8,9)(H,10,11)
InChIKey
LIXNWFSTAHULTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.83
TPSA
83.05

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
0.6
Consensus LogP
0.27
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

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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