![CAS 108825-65-6 N-METHYL-N-[3-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108825-65-6.gif)
CAS RN: 108825-65-6
N-METHYL-N-[3-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)PHENYL]ACETAMIDE
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251220 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260518 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260602 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250320 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS108825-65-6
- Purity/Analytical Methods: >99.0%
108825-65-6 / N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
WS1R0N3H0N | UNII-WS1R0N3H0N | CL-285032
Basic Information
CAS
108825-65-6
Multi CAS
No
Molecular Formula
C15H15N5O
Molecular Weight
281.310000
Exact Mass
281.127660
SMILES
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)N(C)C(=O)C
InChI
InChI=1S/C15H15N5O/c1-10-16-17-15-8-7-14(18-20(10)15)12-5-4-6-13(9-12)19(3)11(2)21/h4-9H,1-3H3
InChIKey
WPAQLESUVYGUJZ-UHFFFAOYSA-N
Synonyms
WS1R0N3H0N
UNII-WS1R0N3H0N
CL-285032
Acetamide, N-methyl-N-(3-(3-methyl-1,2,4-triazolo(4,3-b)pyridazin-6-yl)phenyl)-
RefChem:200209
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
80.04
TPSA
63.39
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
1.2
Consensus LogP
1.71
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 108831-68-1 4-CHLORO-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108831-68-1.gif)
