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CAS 883236-47-3 5-[4-[4-(5-formylthiophen-2-yl)-N-[4-(5-formylthiophen-2-yl)phenyl]anilino]phenyl]thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 883236-47-3

5-[4-[4-(5-formylthiophen-2-yl)-N-[4-(5-formylthiophen-2-yl)phenyl]anilino]phenyl]thiophene-2-carbaldehyde

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS883236-47-3
  • Purity/Analytical Methods: >99.0%
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883236-47-3 / 5-[4-[4-(5-formylthiophen-2-yl)-N-[4-(5-formylthiophen-2-yl)phenyl]anilino]phenyl]thiophene-2-carbaldehyde

Standard CAS: 883236-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883236-47-3
Multi CAS
No
Molecular Formula
C33H21NO3S3
Molecular Weight
575.700000
Exact Mass
575.068357
InChI
InChI=1S/C33H21NO3S3/c35-19-28-13-16-31(38-28)22-1-7-25(8-2-22)34(26-9-3-23(4-10-26)32-17-14-29(20-36)39-32)27-11-5-24(6-12-27)33-18-15-30(21-37)40-33/h1-21H
InChIKey
SBRXFORWSATJLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
33
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
167.23
TPSA
54.45

LogP / Solubility

WLOGP
9.78
MLOGP
8.65
XLogP3
8.6
Consensus LogP
9.01
Log S (ESOL)
-9.59
Class (ESOL)
Insoluble
Log S (Ali)
-11.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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