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CAS 875163-77-2 1-(2-METHOXYETHYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 875163-77-2

1-(2-METHOXYETHYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID

  • Product code: SSC-197590
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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 875163-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

875163-77-2 / 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid

Standard CAS: 875163-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875163-77-2
Multi CAS
No
Molecular Formula
C8H10N2O4
Molecular Weight
198.180000
Exact Mass
198.064057
InChI
InChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKey
RSOSHWXWMIHOSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.33
TPSA
81.42

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.7
Consensus LogP
-0.49
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.22

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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