CAS RN: 1974279-40-7
Palbociclib impurity 33
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1974279-40-7
- Purity/Analytical Methods: >99.0%
1974279-40-7 / 6-acetyl-8-cyclopentyl-2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
1974279-40-7
Multi CAS
No
Molecular Formula
C26H33N7O2
Molecular Weight
475.600000
Exact Mass
475.269573
SMILES
CCN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C
InChI
InChI=1S/C26H33N7O2/c1-4-31-11-13-32(14-12-31)20-9-10-22(27-15-20)29-26-28-16-21-17(2)23(18(3)34)25(35)33(24(21)30-26)19-7-5-6-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,27,28,29,30)
InChIKey
LICNBVSSOUPXNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
137.89
TPSA
96.25
LogP / Solubility
WLOGP
3.7
MLOGP
3.29
XLogP3
2.6
Consensus LogP
3.2
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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