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CAS 474432-65-0 Benzo[b]thiophene-2-carboxamide, N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]- molecular structure lightbox
CAS RN: 474432-65-0

Benzo[b]thiophene-2-carboxamide, N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 1mg / 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS474432-65-0
  • Purity/Analytical Methods: >99.0%
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474432-65-0 / N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide

Standard CAS: 474432-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
474432-65-0
Multi CAS
No
Molecular Formula
C24H29N3O2S
Molecular Weight
423.600000
Exact Mass
423.198048
InChI
InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
InChIKey
KFMBPIZMZUDONQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.04
TPSA
44.81

LogP / Solubility

WLOGP
4.24
MLOGP
3.76
XLogP3
4.9
Consensus LogP
4.3
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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