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CAS 99094-20-9 4-[2-(4-aminophenyl)-1,2-diphenylethenyl]aniline, 95%，异构体混合物 molecular structure lightbox
CAS RN: 99094-20-9

4-[2-(4-aminophenyl)-1,2-diphenylethenyl]aniline, 95%，异构体混合物

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: LINA887285
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99094-20-9 / 4-[2-(4-aminophenyl)-1,2-diphenylethenyl]aniline

Standard CAS: 99094-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99094-20-9
Multi CAS
Yes
Molecular Formula
C26H22N2
Molecular Weight
362.500000
Exact Mass
362.178299
InChI
InChI=1S/C26H22N2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18H,27-28H2
InChIKey
FZIHVNZJLMYTFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
119.61
TPSA
52.04

LogP / Solubility

WLOGP
5.86
MLOGP
5.17
XLogP3
6.6
Consensus LogP
5.88
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
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)
-0.77

Drug-likeness / Medicinal Chemistry

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

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