![CAS 156335-30-7 Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-4-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156335-30-7.gif)
CAS RN: 156335-30-7
Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-4-oxo-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250110 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-065347
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
156335-30-7 / 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
Basic Information
CAS
156335-30-7
Multi CAS
No
Molecular Formula
C8H6N2O3
Molecular Weight
178.140000
Exact Mass
178.037842
SMILES
C1=CN2C(=C1)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-7-5(8(12)13)4-9-10-3-1-2-6(7)10/h1-4,9H,(H,12,13)
InChIKey
ZUCADCLTCASMIN-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
2
Molar refractivity
44.98
TPSA
74.57
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
1.4
Consensus LogP
0.67
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.58
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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