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CAS 524-96-9 N-[Bis(4-methoxyphenyl)methylene]benzylamine molecular structure lightbox
CAS RN: 524-96-9

N-[Bis(4-methoxyphenyl)methylene]benzylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 5g Out of stock 5-7 business days Inquiry
  • Product code: ICTB0137
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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524-96-9 / N-benzyl-1,1-bis(4-methoxyphenyl)methanimine

Standard CAS: 524-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
524-96-9
Multi CAS
Yes
Molecular Formula
C22H21NO2
Molecular Weight
331.400000
Exact Mass
331.157229
InChI
InChI=1S/C22H21NO2/c1-24-20-12-8-18(9-13-20)22(19-10-14-21(25-2)15-11-19)23-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKey
IZZONQFQTGCWNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
101.77
TPSA
30.82

LogP / Solubility

WLOGP
4.74
MLOGP
4.19
XLogP3
5
Consensus LogP
4.64
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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