CAS RN: 288250-47-5
Y-320
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTY0019
- Purity/Analytical Methods: >98.0%(HPLC)
288250-47-5 / 1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
Basic Information
CAS
288250-47-5
Multi CAS
Yes
Molecular Formula
C27H29ClN6O2
Molecular Weight
505.000000
Exact Mass
504.204052
InChI
InChI=1S/C27H29ClN6O2/c1-19-25(18-30-34(19)24-5-2-21(28)3-6-24)27(35)31-22-4-7-26(20(16-22)17-29)33-10-8-23(9-11-33)32-12-14-36-15-13-32/h2-7,16,18,23H,8-15H2,1H3,(H,31,35)
InChIKey
BWZNJVZTAWBIFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
17
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
140.05
TPSA
86.42
LogP / Solubility
WLOGP
4.26
MLOGP
3.78
XLogP3
3.8
Consensus LogP
3.95
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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