CAS RN: 129109-19-9
METHYL 4-CHLORO-1-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
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.20250829 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS129109-19-9
- Purity/Analytical Methods: >99.0%
129109-19-9 / methyl 4-chloro-1-(4-chlorophenyl)-6-oxopyridazine-3-carboxylate
Basic Information
CAS
129109-19-9
Multi CAS
No
Molecular Formula
C12H8Cl2N2O3
Molecular Weight
299.110000
Exact Mass
297.991198
SMILES
COC(=O)C1=NN(C(=O)C=C1Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8Cl2N2O3/c1-19-12(18)11-9(14)6-10(17)16(15-11)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKey
CBOGCPKOHRRUET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.19
TPSA
61.19
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.8
Consensus LogP
2.4
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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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