![CAS 211245-14-6 8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211245-14-6.gif)
CAS RN: 211245-14-6
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
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.20250207 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS211245-14-6
- Purity/Analytical Methods: >99.0%
211245-14-6 / 8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
211245-14-6
Multi CAS
No
Molecular Formula
C20H24N6O
Molecular Weight
364.400000
Exact Mass
364.201159
SMILES
CCN1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C
InChI
InChI=1S/C20H24N6O/c1-3-26-18(27)9-4-15-14-21-20(23-19(15)26)22-16-5-7-17(8-6-16)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H,21,22,23)
InChIKey
BUNLBUQVVVGGJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
108.91
TPSA
66.29
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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