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CAS 666711-17-7 4-Bromo-N,N-bis(4-butoxyphenyl)-aniline molecular structure lightbox
CAS RN: 666711-17-7

4-Bromo-N,N-bis(4-butoxyphenyl)-aniline

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100mg In stock Shenzhen Inquiry
Batchno.20250609 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251011 1g Out of stock Inquiry
Batchno.20251002 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-176339
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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: 0.25g
  • Available purity: ≥95%
  • 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 666711-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

666711-17-7 / N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline

Standard CAS: 666711-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
666711-17-7
Multi CAS
No
Molecular Formula
BC26H30O2Rn
Molecular Weight
468.400000
Exact Mass
467.145990
InChI
InChI=1S/C26H30BrNO2/c1-3-5-19-29-25-15-11-23(12-16-25)28(22-9-7-21(27)8-10-22)24-13-17-26(18-14-24)30-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
InChIKey
FGVGUBFOFAQQPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
3
Molar refractivity
129.63
TPSA
21.7

LogP / Solubility

WLOGP
8.28
MLOGP
7.32
XLogP3
8.3
Consensus LogP
7.97
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.89
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)
0.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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