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CAS 4181-21-9 4,4′,4”-TRIACETYLTRIPHENYLAMINE molecular structure lightbox
CAS RN: 4181-21-9

4,4′,4”-TRIACETYLTRIPHENYLAMINE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100mg In stock Shanghai Inquiry
Batchno.20250121 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251108 1g In stock Shanghai Inquiry
Batchno.20251207 250mg In stock Shanghai Inquiry
Batchno.20250512 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS4181-21-9
  • Purity/Analytical Methods: >99.0%
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4181-21-9 / 1-[4-(4-acetyl-N-(4-acetylphenyl)anilino)phenyl]ethanone

Standard CAS: 4181-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4181-21-9
Multi CAS
No
Molecular Formula
C24H21NO3
Molecular Weight
371.400000
Exact Mass
371.152144
InChI
InChI=1S/C24H21NO3/c1-16(26)19-4-10-22(11-5-19)25(23-12-6-20(7-13-23)17(2)27)24-14-8-21(9-15-24)18(3)28/h4-15H,1-3H3
InChIKey
HMBWJXBLKJUNEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
111.14
TPSA
54.45

LogP / Solubility

WLOGP
5.76
MLOGP
5.09
XLogP3
4.2
Consensus LogP
5.02
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
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)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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