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CAS 1092363-75-1 4-broMo-N,N-bis(4-(hexyloxy)phenyl)aniline molecular structure lightbox
CAS RN: 1092363-75-1

4-broMo-N,N-bis(4-(hexyloxy)phenyl)aniline

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250506 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250508 1g In stock Shanghai Inquiry
Batchno.20260114 250mg In stock Shanghai Inquiry
Batchno.20260217 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1092363-75-1
  • Purity/Analytical Methods: >99.0%
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1092363-75-1 / N-(4-bromophenyl)-4-hexoxy-N-(4-hexoxyphenyl)aniline

4-broMo-N,N-bis(4-(hexyloxy)phenyl)aniline | N-(4-bromophenyl)-4-hexoxy-N-(4-hexoxyphenyl)aniline | N-(4-bromophenyl)-4-(hexyloxy)-N-[4-(hexyloxy)phenyl]aniline

Standard CAS: 1092363-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1092363-75-1
Multi CAS
Yes
Molecular Formula
C30H38BrNO2
Molecular Weight
524.500000
Exact Mass
523.208590
SMILES
CCCCCCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)OCCCCCC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C30H38BrNO2/c1-3-5-7-9-23-33-29-19-15-27(16-20-29)32(26-13-11-25(31)12-14-26)28-17-21-30(22-18-28)34-24-10-8-6-4-2/h11-22H,3-10,23-24H2,1-2H3
InChIKey
WETNVCNRVWFRSH-UHFFFAOYSA-N
Synonyms
4-broMo-N,N-bis(4-(hexyloxy)phenyl)aniline N-(4-bromophenyl)-4-hexoxy-N-(4-hexoxyphenyl)aniline N-(4-bromophenyl)-4-(hexyloxy)-N-[4-(hexyloxy)phenyl]aniline C30H38BrNO2 SCHEMBL9910009

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
15
H-bond acceptors
3
Molar refractivity
148.1
TPSA
21.7

LogP / Solubility

WLOGP
9.84
MLOGP
8.7
XLogP3
10.5
Consensus LogP
9.68
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.03
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)
1.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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