CAS RN: 571190-30-2
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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.20260327 | 25mg / 100mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei, Guangdong | Inquiry |
- Product code: LINP835899
571190-30-2 / 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
571190-30-2
Multi CAS
Yes
Molecular Formula
C24H29N7O2
Molecular Weight
447.500000
Exact Mass
447.238273
InChI
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
AHJRHEGDXFFMBM-UHFFFAOYSA-N
Physical Properties
Melting Point
263-266 ºC
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
128.65
TPSA
105.04
LogP / Solubility
WLOGP
2.97
MLOGP
2.64
XLogP3
1.8
Consensus LogP
2.47
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
