![CAS 39716-48-8 ETHYL 3-OXO-2,3,7,8-TETRAHYDROPYRIDO[4,3-C]PYRIDAZINE-6(5H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39716-48-8.gif)
CAS RN: 39716-48-8
ETHYL 3-OXO-2,3,7,8-TETRAHYDROPYRIDO[4,3-C]PYRIDAZINE-6(5H)-CARBOXYLATE
- Product code: SSC-147432
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 | Beijing | Inquiry |
39716-48-8 / ethyl 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylate
Basic Information
CAS
39716-48-8
Multi CAS
No
Molecular Formula
C10H13N3O3
Molecular Weight
223.230000
Exact Mass
223.095691
InChI
InChI=1S/C10H13N3O3/c1-2-16-10(15)13-4-3-8-7(6-13)5-9(14)12-11-8/h5H,2-4,6H2,1H3,(H,12,14)
InChIKey
LBUWFLGJLUHKJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.99
TPSA
75.29
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
-0.6
Consensus LogP
-0.02
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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5,6,7,8-Tetrahydropyrido[4,3-c]pyridazin-3(2H)-one hydrochloride
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- Product Code: SSC-147433
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