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CAS 1071547-23-3 1,2-bis(4-diethylaminophenyl)-1-(4-bromophenyl)-2-phenylethene molecular structure lightbox
CAS RN: 1071547-23-3

1,2-bis(4-diethylaminophenyl)-1-(4-bromophenyl)-2-phenylethene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260325 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1071547-23-3
  • Purity/Analytical Methods: >99.0%
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1071547-23-3 / 4-[2-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]-2-phenylethenyl]-N,N-dimethylaniline

4,4'-(2-(4-Bromophenyl)-2-phenylethene-1,1-diyl)bis(N,N-dimethylaniline) | 4-[2-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]-2-phenylethenyl]-N,N-dimethylaniline | C30H29BrN2

Standard CAS: 1071547-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071547-23-3
Multi CAS
No
Molecular Formula
C30H29BrN2
Molecular Weight
497.500000
Exact Mass
496.151410
SMILES
CN(C)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C30H29BrN2/c1-32(2)27-18-12-24(13-19-27)30(25-14-20-28(21-15-25)33(3)4)29(22-8-6-5-7-9-22)23-10-16-26(31)17-11-23/h5-21H,1-4H3
InChIKey
CMINGHZWIUHIMO-UHFFFAOYSA-N
Synonyms
4,4'-(2-(4-Bromophenyl)-2-phenylethene-1,1-diyl)bis(N,N-dimethylaniline) 4-[2-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]-2-phenylethenyl]-N,N-dimethylaniline C30H29BrN2 YSZC1667 MFCD34469757

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
147.14
TPSA
6.48

LogP / Solubility

WLOGP
7.59
MLOGP
6.71
XLogP3
8.9
Consensus LogP
7.73
Log S (ESOL)
-7.85
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.91
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)
-0.37

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

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