CAS RN: 2095779-74-9
6-chloro-2-(3,5-dimethoxyphenyl)pyridazin-3(2H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095779-74-9
- Purity/Analytical Methods: >99.0%
2095779-74-9 / 6-chloro-2-(3,5-dimethoxyphenyl)pyridazin-3-one
Basic Information
CAS
2095779-74-9
Multi CAS
No
Molecular Formula
C12H11ClN2O3
Molecular Weight
266.680000
Exact Mass
266.045820
SMILES
COC1=CC(=CC(=C1)N2C(=O)C=CC(=N2)Cl)OC
InChI
InChI=1S/C12H11ClN2O3/c1-17-9-5-8(6-10(7-9)18-2)15-12(16)4-3-11(13)14-15/h3-7H,1-2H3
InChIKey
CSXWQKFIJKBSSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
67.95
TPSA
53.35
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
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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