CAS RN: 1449597-34-5
SMN-C3
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1449597-34-5
- Purity/Analytical Methods: >99.0%
1449597-34-5 / 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
1449597-34-5
Multi CAS
No
Molecular Formula
C24H28N6O
Molecular Weight
416.500000
Exact Mass
416.232460
SMILES
CCN1CCC(CC1)C2=CN3C(=O)C=C(N=C3C(=C2)C)C4=NN5C=C(N=C(C5=C4)C)C
InChI
InChI=1S/C24H28N6O/c1-5-28-8-6-18(7-9-28)19-10-15(2)24-26-20(12-23(31)29(24)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21/h10-14,18H,5-9H2,1-4H3
InChIKey
ZACWYYKZMLGOTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
19
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
121.74
TPSA
67.8
LogP / Solubility
WLOGP
3.53
MLOGP
3.13
XLogP3
1.5
Consensus LogP
2.72
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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