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CAS 287976-94-7 bis(4-broMophenyl)-4-sec-butylaniline molecular structure lightbox
CAS RN: 287976-94-7

bis(4-broMophenyl)-4-sec-butylaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250423 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-130518
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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: 1g
  • 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 287976-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

287976-94-7 / N,N-bis(4-bromophenyl)-4-butan-2-ylaniline

Standard CAS: 287976-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287976-94-7
Multi CAS
No
Molecular Formula
C22H21BR2N
Molecular Weight
459.200000
Exact Mass
459.002030
InChI
InChI=1S/C22H21Br2N/c1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22/h4-16H,3H2,1-2H3
InChIKey
APCOQCLKCAFINS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
115.23
TPSA
3.24

LogP / Solubility

WLOGP
8.19
MLOGP
7.24
XLogP3
8.1
Consensus LogP
7.84
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.05
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
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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