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CAS 1410806-62-0 Ethanone, 1-[1-(4-chlorophenyl)-2-methyl-1H-indol-3-yl]-2-(1-piperidinyl)- molecular structure lightbox
CAS RN: 1410806-62-0

Ethanone, 1-[1-(4-chlorophenyl)-2-methyl-1H-indol-3-yl]-2-(1-piperidinyl)-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1410806-62-0
  • Purity/Analytical Methods: >99.0%
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1410806-62-0 / 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone

Standard CAS: 1410806-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1410806-62-0
Multi CAS
No
Molecular Formula
C22H23ClN2O
Molecular Weight
366.900000
Exact Mass
366.149891
SMILES
CC1=C(C2=CC=CC=C2N1C3=CC=C(C=C3)Cl)C(=O)CN4CCCCC4
InChI
InChI=1S/C22H23ClN2O/c1-16-22(21(26)15-24-13-5-2-6-14-24)19-7-3-4-8-20(19)25(16)18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKey
YOZPAJNIWRKUDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
107.64
TPSA
25.24

LogP / Solubility

WLOGP
5.26
MLOGP
4.65
XLogP3
5.3
Consensus LogP
5.07
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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