[email protected]
CAS 13080-85-8 4,4′-Bis(4-aminophenoxy)biphenyl molecular structure lightbox
CAS RN: 13080-85-8

4,4′-Bis(4-aminophenoxy)biphenyl

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250802 1kg Out of stock Inquiry
Batchno.20260604 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260509 500g In stock Shanghai, Tianjin Inquiry
Batchno.20251222 5g In stock Shanghai, Tianjin Inquiry
  • Product code: ICTB1671
  • Purity/Analytical Methods: >98.0%(T)
GET A QUOTE

13080-85-8 / 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline

Standard CAS: 13080-85-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13080-85-8
Multi CAS
No
Molecular Formula
C24H20N2O2
Molecular Weight
368.400000
Exact Mass
368.152478
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C24H20N2O2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16H,25-26H2
InChIKey
HYDATEKARGDBKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.73
TPSA
70.5

LogP / Solubility

WLOGP
6.1
MLOGP
5.39
XLogP3
4.4
Consensus LogP
5.3
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
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)
-0.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us