CAS RN: 143128-75-0
3(2H)-Pyridazinone,6-amino-2-(1-methylethyl)-(9CI)
- Product code: SSC-054439
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 |
143128-75-0 / 6-amino-2-propan-2-ylpyridazin-3-one
Basic Information
CAS
143128-75-0
Multi CAS
No
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
CC(C)N1C(=O)C=CC(=N1)N
InChI
InChI=1S/C7H11N3O/c1-5(2)10-7(11)4-3-6(8)9-10/h3-5H,1-2H3,(H2,8,9)
InChIKey
KPYXWNJVJJPLSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.29
TPSA
60.91
LogP / Solubility
WLOGP
0.41
MLOGP
0.35
XLogP3
-0.3
Consensus LogP
0.15
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.37
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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