CAS RN: 210230-80-1
4,5-Dihydro-6-(1-Methylethyl)-3(2H)-Pyridazinone
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926919
210230-80-1 / 3-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one
Basic Information
CAS
210230-80-1
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
CC(C)C1=NNC(=O)CC1
InChI
InChI=1S/C7H12N2O/c1-5(2)6-3-4-7(10)9-8-6/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
CWCDVJSJBVFNJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.65
TPSA
41.46
LogP / Solubility
WLOGP
0.91
MLOGP
0.79
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.93
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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