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 |
1105193-95-0 / 3-(2,5-dimethoxyphenyl)-1H-pyridazin-6-one
6-(2,5-dimethoxyphenyl)pyridazin-3(2H)-one | 6-(2,5-dimethoxyphenyl)pyridazin-3-ol | 3-(2,5-dimethoxyphenyl)-1H-pyridazin-6-one
Basic Information
CAS
1105193-95-0
Multi CAS
No
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
SMILES
COC1=CC(=C(C=C1)OC)C2=NNC(=O)C=C2
InChI
InChI=1S/C12H12N2O3/c1-16-8-3-5-11(17-2)9(7-8)10-4-6-12(15)14-13-10/h3-7H,1-2H3,(H,14,15)
InChIKey
FVRAWAWBEMQJJV-UHFFFAOYSA-N
Synonyms
6-(2,5-dimethoxyphenyl)pyridazin-3(2H)-one
6-(2,5-dimethoxyphenyl)pyridazin-3-ol
3-(2,5-dimethoxyphenyl)-1H-pyridazin-6-one
MFCD12531089
SCHEMBL8480289
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.4
TPSA
64.21
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
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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