[email protected]
CAS 113703-66-5 N,N’-Bis(4-chlorophenyl)-N,N’-diphenyl-1,4-phenylenediamine molecular structure lightbox
CAS RN: 113703-66-5

N,N’-Bis(4-chlorophenyl)-N,N’-diphenyl-1,4-phenylenediamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTB1336
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

113703-66-5 / 1-N,4-N-bis(4-chlorophenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

N,N'-Bis(4-chlorophenyl)-N,N'-diphenyl-1,4-phenylenediamine | 1-N,4-N-bis(4-chlorophenyl)-1-N,4-N-diphenylbenzene-1,4-diamine | MFCD00060108

Standard CAS: 113703-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113703-66-5
Multi CAS
Yes
Molecular Formula
C30H22Cl2N2
Molecular Weight
481.400000
Exact Mass
480.116004
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H22Cl2N2/c31-23-11-15-27(16-12-23)33(25-7-3-1-4-8-25)29-19-21-30(22-20-29)34(26-9-5-2-6-10-26)28-17-13-24(32)14-18-28/h1-22H
InChIKey
SQYNUFZUOMNRHQ-UHFFFAOYSA-N
Synonyms
N,N'-Bis(4-chlorophenyl)-N,N'-diphenyl-1,4-phenylenediamine 1-N,4-N-bis(4-chlorophenyl)-1-N,4-N-diphenylbenzene-1,4-diamine MFCD00060108 1,4-Benzenediamine, N1,N4-bis(4-chlorophenyl)-N1,N4-diphenyl- N,N/'-BIS(4-CHLOROPHENYL)-N,N/'-DIPHENYL-1,4-PHENYLENEDIAMINE

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
30
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
145.83
TPSA
6.48

LogP / Solubility

WLOGP
9.93
MLOGP
8.77
XLogP3
9.7
Consensus LogP
9.47
Log S (ESOL)
-9.34
Class (ESOL)
Insoluble
Log S (Ali)
-10.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.75
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)
1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us