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CAS 1449757-11-2 N,N’-(2,2′-bis(trifluoromethyl)-[1,1′-biphenyl]-4,4′-diyl)bis(4-aminobenzamide) (AB-TFMB) molecular structure lightbox
CAS RN: 1449757-11-2

N,N’-(2,2′-bis(trifluoromethyl)-[1,1′-biphenyl]-4,4′-diyl)bis(4-aminobenzamide) (AB-TFMB)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-056359
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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: ≥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 1449757-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1449757-11-2 / 4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzamide

Standard CAS: 1449757-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449757-11-2
Multi CAS
No
Molecular Formula
C28H20F6N4O2
Molecular Weight
558.500000
Exact Mass
558.149045
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C28H20F6N4O2/c29-27(30,31)23-13-19(37-25(39)15-1-5-17(35)6-2-15)9-11-21(23)22-12-10-20(14-24(22)28(32,33)34)38-26(40)16-3-7-18(36)8-4-16/h1-14H,35-36H2,(H,37,39)(H,38,40)
InChIKey
CBYXHYQSFALRPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
139.5
TPSA
110.24

LogP / Solubility

WLOGP
7.06
MLOGP
6.26
XLogP3
5.6
Consensus LogP
6.31
Log S (ESOL)
-7.86
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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