CAS RN: 2227019-45-4
Aurora inhibitor 1
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.20250301 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2227019-45-4
- Purity/Analytical Methods: >99.0%
2227019-45-4 / 3-[(tert-butylamino)-pyridin-2-ylmethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
Basic Information
CAS
2227019-45-4
Multi CAS
No
Molecular Formula
C23H25N9S
Molecular Weight
459.600000
Exact Mass
459.195363
SMILES
CC1=CN2C(=CN=C2C(=N1)NC3=CC(=NS3)C(C4=CC=CC=N4)NC(C)(C)C)C5=CNN=C5
InChI
InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29)
InChIKey
QTTGVGLTCILDCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
25
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
129.67
TPSA
108.71
LogP / Solubility
WLOGP
4.5
MLOGP
3.99
XLogP3
3.4
Consensus LogP
3.96
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
Boronic acid, B-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-
- CAS RN: 2227194-01-4
- Product Code: SSC-107393
-
exo-8-oxabicyclo[3.2.1]octane-3-carbonitrile
- CAS RN: 2227197-28-4
- Product Code: SSC-107395
-
(3S)-3-(fluoromethyl)pyrrolidine hydrochloride
- CAS RN: 2227197-34-2
- Product Code: SSC-107398
-
(3R,4R)-N,1,4-trimethyl-N-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-3-amine
- CAS RN: 2227197-38-6
- Product Code: starshine_CAS2227197-38-6
- Purity/Analytical method: >99.0%
-
bis(tert-butyl N-[(3R,4S)-4-methoxypiperidin-3-yl]carbamate)
- CAS RN: 2227197-47-7
- Product Code: SSC-107400
![CAS 2227194-01-4 Boronic acid, B-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227194-01-4.gif)
![CAS 2227197-28-4 exo-8-oxabicyclo[3.2.1]octane-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-28-4.gif)
![CAS 2227197-38-6 (3R,4R)-N,1,4-trimethyl-N-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-38-6.gif)
![CAS 2227197-47-7 bis(tert-butyl N-[(3R,4S)-4-methoxypiperidin-3-yl]carbamate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-47-7.gif)