![CAS 2043019-99-2 2-Pyrazinecarbonitrile, 6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2043019-99-2.png)
CAS RN: 2043019-99-2
2-Pyrazinecarbonitrile, 6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-
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.20251003 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2043019-99-2
- Purity/Analytical Methods: >99.0%
2043019-99-2 / 6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carbonitrile
Basic Information
CAS
2043019-99-2
Multi CAS
No
Molecular Formula
C29H42N8O2
Molecular Weight
534.700000
Exact Mass
534.343073
SMILES
CCC1=C(N=C(C(=N1)C#N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5
InChI
InChI=1S/C29H42N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(25(20-30)33-24)32-22-5-6-26(27(19-22)38-3)37-11-7-23(8-12-37)36-15-13-35(2)14-16-36/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,31,32,34)
InChIKey
KUHUZLRNPPPIQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
154.17
TPSA
101.81
LogP / Solubility
WLOGP
3.47
MLOGP
3.09
XLogP3
4.3
Consensus LogP
3.62
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
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)
-3.52
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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