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CAS 1261-86-5 Tetrakis[4-(dimethylamino)phenyl]ethene molecular structure lightbox
CAS RN: 1261-86-5

Tetrakis[4-(dimethylamino)phenyl]ethene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1261-86-5
  • Purity/Analytical Methods: >99.0%
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1261-86-5 / N,N-dimethyl-4-[1,2,2-tris[4-(dimethylamino)phenyl]ethenyl]aniline

Standard CAS: 1261-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261-86-5
Multi CAS
No
Molecular Formula
C34H40N4
Molecular Weight
504.700000
Exact Mass
504.325297
SMILES
CN(C)C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C34H40N4/c1-35(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)36(3)4)34(27-13-21-31(22-14-27)37(5)6)28-15-23-32(24-16-28)38(7)8/h9-24H,1-8H3
InChIKey
PJZWENDBSVLVEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
168.09
TPSA
12.96

LogP / Solubility

WLOGP
6.96
MLOGP
6.16
XLogP3
8.5
Consensus LogP
7.21
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-8.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
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)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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