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CAS 74173-58-3 3-Pyridazinecarboxylic acid, 1,6-dihydro-1-Methyl-6-oxo-, Methyl ester molecular structure lightbox
CAS RN: 74173-58-3

3-Pyridazinecarboxylic acid, 1,6-dihydro-1-Methyl-6-oxo-, Methyl ester

  • Product code: SSC-183612
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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: ≥98%
  • 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 74173-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

74173-58-3 / methyl 1-methyl-6-oxopyridazine-3-carboxylate

Standard CAS: 74173-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74173-58-3
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-9-6(10)4-3-5(8-9)7(11)12-2/h3-4H,1-2H3
InChIKey
MLOCOCULIFZPTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.82
TPSA
61.19

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.05

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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