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CAS 17403-05-3 3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole molecular structure lightbox
CAS RN: 17403-05-3

3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17403-05-3
  • Purity/Analytical Methods: >99.0%
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17403-05-3 / 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

Standard CAS: 17403-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17403-05-3
Multi CAS
No
Molecular Formula
C20H20N2
Molecular Weight
288.400000
Exact Mass
288.162649
SMILES
C1CN(CC=C1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
InChIKey
TYKXLUMYKFFSJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
92.61
TPSA
19.03

LogP / Solubility

WLOGP
4.46
MLOGP
3.93
XLogP3
3.8
Consensus LogP
4.06
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31

Drug-likeness / Medicinal Chemistry

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

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