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CAS 1329620-17-8 1,1-diphenyl-2,2-di(4-Aminobiphenyl)ethylene molecular structure lightbox
CAS RN: 1329620-17-8

1,1-diphenyl-2,2-di(4-Aminobiphenyl)ethylene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260320 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1329620-17-8
  • Purity/Analytical Methods: >99.0%
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1329620-17-8 / 4-[4-[1-[4-(4-aminophenyl)phenyl]-2,2-diphenylethenyl]phenyl]aniline

Standard CAS: 1329620-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1329620-17-8
Multi CAS
No
Molecular Formula
C38H30N2
Molecular Weight
514.700000
Exact Mass
514.240899
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)C5=CC=C(C=C5)N)C6=CC=CC=C6
InChI
InChI=1S/C38H30N2/c39-35-23-19-29(20-24-35)27-11-15-33(16-12-27)38(34-17-13-28(14-18-34)30-21-25-36(40)26-22-30)37(31-7-3-1-4-8-31)32-9-5-2-6-10-32/h1-26H,39-40H2
InChIKey
DBTBUUVPWZSKFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
170.48
TPSA
52.04

LogP / Solubility

WLOGP
9.19
MLOGP
8.13
XLogP3
9.9
Consensus LogP
9.07
Log S (ESOL)
-9.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.36
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)
0.67

Drug-likeness / Medicinal Chemistry

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

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