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CAS 1462267-08-8 2-(2-((4-bromophenyl)amino)-2-oxoethoxy)-N-(2-(methyl(phenyl)amino)-2-oxoethyl)benzamide molecular structure lightbox
CAS RN: 1462267-08-8

2-(2-((4-bromophenyl)amino)-2-oxoethoxy)-N-(2-(methyl(phenyl)amino)-2-oxoethyl)benzamide

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Batchno.20250324 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1462267-08-8
  • Purity/Analytical Methods: >99.0%
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1462267-08-8 / 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

Standard CAS: 1462267-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1462267-08-8
Multi CAS
No
Molecular Formula
C24H22BrN3O4
Molecular Weight
496.400000
Exact Mass
495.079370
SMILES
CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H22BrN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)
InChIKey
VAPWBKACLHRZBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.89
TPSA
87.74

LogP / Solubility

WLOGP
3.86
MLOGP
3.43
XLogP3
3.9
Consensus LogP
3.73
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

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

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