![CAS 1269822-95-8 methyl 4-hydroxy-7H-pyrrolo[2,3-c]pyridazine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269822-95-8.gif)
CAS RN: 1269822-95-8
methyl 4-hydroxy-7H-pyrrolo[2,3-c]pyridazine-6-carboxylate
- Product code: SSC-034332
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1269822-95-8 / methyl 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-6-carboxylate
Basic Information
CAS
1269822-95-8
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
COC(=O)C1=CC2=C(N1)NN=CC2=O
InChI
InChI=1S/C8H7N3O3/c1-14-8(13)5-2-4-6(12)3-9-11-7(4)10-5/h2-3H,1H3,(H2,10,11,12)
InChIKey
XQPIHCJCVMUUNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.05
TPSA
87.84
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
0.6
Consensus LogP
0.22
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.87
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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