[email protected]
CAS 865448-72-2 N,N,N’,N’-Tetra(4-formylphenyl)benzidin molecular structure lightbox
CAS RN: 865448-72-2

N,N,N’,N’-Tetra(4-formylphenyl)benzidin

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250907 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong 1 business days Inquiry
  • Product code: LINN887438
GET A QUOTE

865448-72-2 / 4-(4-formyl-N-[4-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde

Standard CAS: 865448-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865448-72-2
Multi CAS
No
Molecular Formula
C40H28N2O4
Molecular Weight
600.700000
Exact Mass
600.204907
InChI
InChI=1S/C40H28N2O4/c43-25-29-1-13-35(14-2-29)41(36-15-3-30(26-44)4-16-36)39-21-9-33(10-22-39)34-11-23-40(24-12-34)42(37-17-5-31(27-45)6-18-37)38-19-7-32(28-46)8-20-38/h1-28H
InChIKey
HPVDCPGIWARHER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
36
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
182.79
TPSA
74.76

LogP / Solubility

WLOGP
9.54
MLOGP
8.45
XLogP3
7.9
Consensus LogP
8.63
Log S (ESOL)
-9.43
Class (ESOL)
Insoluble
Log S (Ali)
-11.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.39

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us