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CAS 1269822-96-9 4-hydroxy-7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid molecular structure lightbox
CAS RN: 1269822-96-9

4-hydroxy-7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid

  • Product code: SSC-034333
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1269822-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1269822-96-9 / 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-6-carboxylic acid

Standard CAS: 1269822-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1269822-96-9
Multi CAS
No
Molecular Formula
C7H5N3O3
Molecular Weight
179.130000
Exact Mass
179.033091
SMILES
C1=C(NC2=C1C(=O)C=NN2)C(=O)O
InChI
InChI=1S/C7H5N3O3/c11-5-2-8-10-6-3(5)1-4(9-6)7(12)13/h1-2H,(H,12,13)(H2,9,10,11)
InChIKey
AMYSDDVREWVHKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.67
TPSA
98.84

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
0.3
Consensus LogP
0.07
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.85

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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