![CAS 1820707-50-3 5,6,7,8-Tetrahydropyrido[3,4-c]pyridazin-3(2H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22629643.gif)
CAS RN: 1820707-50-3
5,6,7,8-Tetrahydropyrido[3,4-c]pyridazin-3(2H)-one hydrochloride
- Product code: SSC-082908
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 | Shanghai | Inquiry |
1820707-50-3 / 5,6,7,8-tetrahydro-2H-pyrido[3,4-c]pyridazin-3-one;hydrochloride
Basic Information
CAS
1820707-50-3
Multi CAS
No
Molecular Formula
C7H10ClN3O
Molecular Weight
187.630000
Exact Mass
187.051240
SMILES
C1CNCC2=NNC(=O)C=C21.Cl
InChI
InChI=1S/C7H9N3O.ClH/c11-7-3-5-1-2-8-4-6(5)9-10-7;/h3,8H,1-2,4H2,(H,10,11);1H
InChIKey
ODDHQWSEQAJDHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.52
TPSA
57.78
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.16
Consensus LogP
-0.15
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.98
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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