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CAS 1242458-46-3 1-methyl-6-oxo-1,6-dihydropyridazine-4-carboxylic acid molecular structure lightbox
CAS RN: 1242458-46-3

1-methyl-6-oxo-1,6-dihydropyridazine-4-carboxylic acid

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250421 100mg Out of stock Inquiry
Batchno.20260522 1g Out of stock Inquiry
Batchno.20251107 250mg Out of stock Inquiry
  • Product code: SSC-028147
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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: 5g
  • 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 1242458-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1242458-46-3 / 1-methyl-6-oxopyridazine-4-carboxylic acid

Standard CAS: 1242458-46-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1242458-46-3
Multi CAS
No
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
SMILES
CN1C(=O)C=C(C=N1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-8-5(9)2-4(3-7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChIKey
SGPJKIXGNKEFGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.44
TPSA
72.19

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.46
XLogP3
-0.8
Consensus LogP
-0.59
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
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)
-4.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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