![CAS 890091-87-9 6-N-BOC-5,6,7,8-TETRAHYDRO-PYRIDO[4,3-C]PYRIDAZIN-3-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/890091-87-9.gif)
CAS RN: 890091-87-9
6-N-BOC-5,6,7,8-TETRAHYDRO-PYRIDO[4,3-C]PYRIDAZIN-3-OL
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.20260128 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-200844
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 |
890091-87-9 / tert-butyl 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylate
Basic Information
CAS
890091-87-9
Multi CAS
No
Molecular Formula
C12H17N3O3
Molecular Weight
251.280000
Exact Mass
251.126991
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-9-8(7-15)6-10(16)14-13-9/h6H,4-5,7H2,1-3H3,(H,14,16)
InChIKey
CEWAOXZXQMSMQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.21
TPSA
75.29
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
Consensus LogP
0.67
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 890092-07-6
- Product Code: SSC-200846
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![CAS 890092-07-6 2-[(4-ACETYLPIPERAZIN-1-YL)CARBONYL]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3683585.gif)
