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CAS 880800-25-9 4-chloro-4′-(diphenylaMino)biphenyl molecular structure lightbox
CAS RN: 880800-25-9

4-chloro-4′-(diphenylaMino)biphenyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS880800-25-9
  • Purity/Analytical Methods: >99.0%
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880800-25-9 / 4-(4-chlorophenyl)-N,N-diphenylaniline

Standard CAS: 880800-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
880800-25-9
Multi CAS
No
Molecular Formula
C24H18CLN
Molecular Weight
355.900000
Exact Mass
355.112777
InChI
InChI=1S/C24H18ClN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
InChIKey
DUWBYNUKPGQYPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
111.57
TPSA
3.24

LogP / Solubility

WLOGP
7.48
MLOGP
6.6
XLogP3
7.8
Consensus LogP
7.29
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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