CAS RN: 2111834-61-6
STAT5-IN-2
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.20251110 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2111834-61-6
- Purity/Analytical Methods: >99.0%
2111834-61-6 / 1-[2-(1H-indol-5-yloxy)ethyl]-4,4-dimethyl-6-pyridin-3-yl-2,3-dihydroquinoline
Basic Information
CAS
2111834-61-6
Multi CAS
No
Molecular Formula
C26H27N3O
Molecular Weight
397.500000
Exact Mass
397.215412
SMILES
CC1(CCN(C2=C1C=C(C=C2)C3=CN=CC=C3)CCOC4=CC5=C(C=C4)NC=C5)C
InChI
InChI=1S/C26H27N3O/c1-26(2)10-13-29(14-15-30-22-6-7-24-20(16-22)9-12-28-24)25-8-5-19(17-23(25)26)21-4-3-11-27-18-21/h3-9,11-12,16-18,28H,10,13-15H2,1-2H3
InChIKey
BELIZDRKUICBJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
123.32
TPSA
41.15
LogP / Solubility
WLOGP
5.8
MLOGP
5.12
XLogP3
5.7
Consensus LogP
5.54
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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