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CAS 654067-66-0 2-Thiophenecarboxaldehyde, 5-[4-[bis(4-methylphenyl)amino]phenyl]- molecular structure lightbox
CAS RN: 654067-66-0

2-Thiophenecarboxaldehyde, 5-[4-[bis(4-methylphenyl)amino]phenyl]-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250714 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS654067-66-0
  • Purity/Analytical Methods: >99.0%
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654067-66-0 / 5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophene-2-carbaldehyde

Standard CAS: 654067-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
654067-66-0
Multi CAS
No
Molecular Formula
C25H21NOS
Molecular Weight
383.500000
Exact Mass
383.134385
InChI
InChI=1S/C25H21NOS/c1-18-3-9-21(10-4-18)26(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)25-16-15-24(17-27)28-25/h3-17H,1-2H3
InChIKey
MUQFSLMELVMDSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
23
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
119.3
TPSA
20.31

LogP / Solubility

WLOGP
7.31
MLOGP
6.46
XLogP3
7
Consensus LogP
6.92
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.13

Drug-likeness / Medicinal Chemistry

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

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