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CAS 206873-63-4 Tariquidar molecular structure lightbox
CAS RN: 206873-63-4

Tariquidar

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 100mg In stock Shanghai Inquiry
Batchno.20250811 10mg In stock Shanghai Inquiry
Batchno.20250930 250mg In stock Shanghai Inquiry
Batchno.20250126 25mg In stock Shanghai Inquiry
Batchno.20250626 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 1mg / 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS206873-63-4
  • Purity/Analytical Methods: >99.0%
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206873-63-4 / N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide

Standard CAS: 206873-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206873-63-4
Multi CAS
No
Molecular Formula
C38H38N4O6
Molecular Weight
646.700000
Exact Mass
646.279135
SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC
InChI
InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChIKey
LGGHDPFKSSRQNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
28
Fraction Csp3
0.24
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
185.87
TPSA
111.25

LogP / Solubility

WLOGP
6.37
MLOGP
5.66
XLogP3
6.1
Consensus LogP
6.04
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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