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CAS 1246562-40-2 2-Amino-N-[(1,1′-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dimethylfluorene molecular structure lightbox
CAS RN: 1246562-40-2

2-Amino-N-[(1,1′-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dimethylfluorene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028734
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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: 10g
  • 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 1246562-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

1246562-40-2 / N-(4-bromophenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

Standard CAS: 1246562-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246562-40-2
Multi CAS
No
Molecular Formula
C33H26BrN
Molecular Weight
516.500000
Exact Mass
515.124860
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br)C
InChI
InChI=1S/C33H26BrN/c1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)35(27-18-14-25(34)15-19-27)26-16-12-24(13-17-26)23-8-4-3-5-9-23/h3-22H,1-2H3
InChIKey
CBLKFNHDNANUNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
30
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
151.82
TPSA
3.24

LogP / Solubility

WLOGP
9.89
MLOGP
8.74
XLogP3
10
Consensus LogP
9.54
Log S (ESOL)
-9.64
Class (ESOL)
Insoluble
Log S (Ali)
-10.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.71
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)
1.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

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