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CAS RN: 1395946-75-4
APX-115
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250922 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250118 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250222 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250926 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250423 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1395946-75-4
- Purity/Analytical Methods: >99.0%
1395946-75-4 / 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
Basic Information
CAS
1395946-75-4
Multi CAS
No
Molecular Formula
C17H18ClN3O
Molecular Weight
315.800000
Exact Mass
315.113840
SMILES
CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C17H17N3O.ClH/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15;/h3-7,9-12,19H,2,8H2,1H3;1H
InChIKey
YEEIHSUMLNXRMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.86
TPSA
50.68
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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