CAS RN: 1914078-41-3
eCF506
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1914078-41-3
- Purity/Analytical Methods: >99.0%
1914078-41-3 / tert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate
Basic Information
CAS
1914078-41-3
Multi CAS
No
Molecular Formula
C26H38N8O3
Molecular Weight
510.600000
Exact Mass
510.306687
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)CCN4CCC(CC4)N(C)C)OC
InChI
InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
InChIKey
GMPQGWXPDRNCBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
15
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
2
Molar refractivity
144.73
TPSA
123.66
LogP / Solubility
WLOGP
3.46
MLOGP
3.08
XLogP3
2.6
Consensus LogP
3.05
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 1914148-51-8 Spiro[isochroman-1,4′-piperidine] 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-51-8.gif)
![CAS 1914148-54-1 3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-54-1.gif)
![CAS 1914148-56-3 Ethyl imidazo[1,5-a]pyridine-7-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-56-3.gif)
