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CAS 24367-94-0 N-acetyl-4,4′-diaminodiphenylmethane molecular structure lightbox
CAS RN: 24367-94-0

N-acetyl-4,4′-diaminodiphenylmethane

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Batchno.20260308 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS24367-94-0
  • Purity/Analytical Methods: >99.0%
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24367-94-0 / N-[4-[(4-aminophenyl)methyl]phenyl]acetamide

Standard CAS: 24367-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24367-94-0
Multi CAS
No
Molecular Formula
C15H16N2O
Molecular Weight
240.300000
Exact Mass
240.126263
SMILES
CC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O/c1-11(18)17-15-8-4-13(5-9-15)10-12-2-6-14(16)7-3-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
SQTDJPRWHARDHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.41
TPSA
55.12

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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