![CAS 1314594-23-4 N-[2-(1H-Indol-3-yl)ethyl]-4-(2-methyl-1H-indol-3-yl)-2-pyrimidinamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1314594-23-4.gif)
CAS RN: 1314594-23-4
N-[2-(1H-Indol-3-yl)ethyl]-4-(2-methyl-1H-indol-3-yl)-2-pyrimidinamine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1314594-23-4
- Purity/Analytical Methods: >99.0%
1314594-23-4 / N-[2-(1H-indol-3-yl)ethyl]-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
Basic Information
CAS
1314594-23-4
Multi CAS
No
Molecular Formula
C23H21N5
Molecular Weight
367.400000
Exact Mass
367.179696
SMILES
CC1=C(C2=CC=CC=C2N1)C3=NC(=NC=C3)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H21N5/c1-15-22(18-7-3-5-9-20(18)27-15)21-11-13-25-23(28-21)24-12-10-16-14-26-19-8-4-2-6-17(16)19/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,24,25,28)
InChIKey
IDAWNFCAFDXMER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
114.55
TPSA
69.39
LogP / Solubility
WLOGP
5.07
MLOGP
4.48
XLogP3
4.8
Consensus LogP
4.78
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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