CAS RN: 1800506-48-2
CDK4/6-IN-2
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.20250713 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1800506-48-2
- Purity/Analytical Methods: >99.0%
1800506-48-2 / 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
Basic Information
CAS
1800506-48-2
Multi CAS
No
Molecular Formula
C27H32F2N8
Molecular Weight
506.600000
Exact Mass
506.271799
SMILES
CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
InChI
InChI=1S/C27H32F2N8/c1-5-35-6-8-36(9-7-35)16-19-13-31-27(32-14-19)34-25-12-21(23(29)15-30-25)20-10-22(28)26-24(11-20)37(17(2)3)18(4)33-26/h10-15,17H,5-9,16H2,1-4H3,(H,30,31,32,34)
InChIKey
CMOYPFUEZDEQEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
21
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
140.71
TPSA
75
LogP / Solubility
WLOGP
4.94
MLOGP
4.38
XLogP3
3.8
Consensus LogP
4.37
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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