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CAS 100308-69-8 4,4′-Dibromo-4”-methoxytriphenylamine molecular structure lightbox
CAS RN: 100308-69-8

4,4′-Dibromo-4”-methoxytriphenylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-000817
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100308-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

100308-69-8 / N,N-bis(4-bromophenyl)-4-methoxyaniline

4-bromo-N-(4-bromophenyl)-N-(4-methoxyphenyl)aniline | 4,4'-Dibromo-4''-methoxytriphenylamine | N,N-Bis(4-bromophenyl)-4-methoxyaniline

Standard CAS: 100308-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100308-69-8
Multi CAS
No
Molecular Formula
C19H15Br2NO
Molecular Weight
433.100000
Exact Mass
432.949990
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H15Br2NO/c1-23-19-12-10-18(11-13-19)22(16-6-2-14(20)3-7-16)17-8-4-15(21)5-9-17/h2-13H,1H3
InChIKey
ZOISYEZQRCIVDZ-UHFFFAOYSA-N
Synonyms
4-bromo-N-(4-bromophenyl)-N-(4-methoxyphenyl)aniline 4,4'-Dibromo-4''-methoxytriphenylamine N,N-Bis(4-bromophenyl)-4-methoxyaniline MFCD31699798 C19H15Br2NO

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
103.08
TPSA
12.47

LogP / Solubility

WLOGP
6.69
MLOGP
5.92
XLogP3
6.5
Consensus LogP
6.37
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
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)
-0.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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