![CAS 1247564-41-5 3-Pyridazinamine, N-[(4-methoxyphenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1247564-41-5.gif)
CAS RN: 1247564-41-5
3-Pyridazinamine, N-[(4-methoxyphenyl)methyl]-
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.20250320 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1247564-41-5
- Purity/Analytical Methods: >99.0%
1247564-41-5 / N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
Basic Information
CAS
1247564-41-5
Multi CAS
No
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
SMILES
COC1=CC=C(C=C1)CNC2=NN=CC=C2
InChI
InChI=1S/C12H13N3O/c1-16-11-6-4-10(5-7-11)9-13-12-3-2-8-14-15-12/h2-8H,9H2,1H3,(H,13,15)
InChIKey
SYGBTJVMKCBAQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.35
TPSA
47.04
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.54
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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