CAS RN: 1553904-41-8
4-(benzyloxy)-3,6-dichloropyridazine
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.20250211 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1553904-41-8
- Purity/Analytical Methods: >99.0%
1553904-41-8 / 3,6-dichloro-4-phenylmethoxypyridazine
Basic Information
CAS
1553904-41-8
Multi CAS
No
Molecular Formula
C11H8Cl2N2O
Molecular Weight
255.100000
Exact Mass
254.001368
SMILES
C1=CC=C(C=C1)COC2=CC(=NN=C2Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O/c12-10-6-9(11(13)15-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
NNSLDXJWOZPEAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
62.83
TPSA
35.01
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-1.89
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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