CAS RN: 113168-57-3
Linopirdine dihydrochloride
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.20260111 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS113168-57-3
- Purity/Analytical Methods: >99.0%
113168-57-3 / 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;dihydrochloride
AKOS040745226
Basic Information
CAS
113168-57-3
Multi CAS
Yes
Molecular Formula
C26H23Cl2N3O
Molecular Weight
464.400000
Exact Mass
463.121818
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl
InChI
InChI=1S/C26H21N3O.2ClH/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22;;/h1-17H,18-19H2;2*1H
InChIKey
ZEVVHCGTTNRYOY-UHFFFAOYSA-N
Synonyms
AKOS040745226
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
132.09
TPSA
46.09
LogP / Solubility
WLOGP
5.72
MLOGP
5.07
XLogP3
5.72
Consensus LogP
5.5
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
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)
-1.49
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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- Product Code: starshine_CAS113187-28-3
- Purity/Analytical method: >99.0%
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