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CAS 2089223-27-6 [1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-2′-(9H-carbazol-9-yl)- molecular structure lightbox
CAS RN: 2089223-27-6

[1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-2′-(9H-carbazol-9-yl)-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS2089223-27-6
  • Purity/Analytical Methods: >99.0%
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2089223-27-6 / N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenylaniline

Standard CAS: 2089223-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089223-27-6
Multi CAS
No
Molecular Formula
C36H26N2
Molecular Weight
486.600000
Exact Mass
486.209599
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=CC=C4N5C6=CC=CC=C6C7=CC=CC=C75
InChI
InChI=1S/C36H26N2/c1-2-10-26(11-3-1)27-18-22-29(23-19-27)37-30-24-20-28(21-25-30)31-12-4-7-15-34(31)38-35-16-8-5-13-32(35)33-14-6-9-17-36(33)38/h1-25,37H
InChIKey
CDKIFBDQGZMZAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
37
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
161.38
TPSA
16.96

LogP / Solubility

WLOGP
9.86
MLOGP
8.71
XLogP3
9.8
Consensus LogP
9.46
Log S (ESOL)
-9.46
Class (ESOL)
Insoluble
Log S (Ali)
-10.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.61
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)
1.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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