CAS RN: 306934-80-5
6-Hydroxypyridazine-3-carboxylic Acid Monohydrate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
- Product code: SSC-135579
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, 25g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
306934-80-5 / 6-oxo-1H-pyridazine-3-carboxylic acid;hydrate
Basic Information
CAS
306934-80-5
Multi CAS
Yes
Molecular Formula
C5H6N2O4
Molecular Weight
158.110000
Exact Mass
158.032757
InChI
InChI=1S/C5H4N2O3.H2O/c8-4-2-1-3(5(9)10)6-7-4;/h1-2H,(H,7,8)(H,9,10);1H2
InChIKey
DZCBVXKRERSHAA-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
35.43
TPSA
114.55
LogP / Solubility
WLOGP
-1.36
MLOGP
-1.2
XLogP3
-1.36
Consensus LogP
-1.31
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.32
Class (SILICOS-IT)
Highly 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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
