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CAS 2089424-10-0 N-[(1S)-1-[1,1′-Biphenyl]-2-yl-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-benzamide molecular structure lightbox
CAS RN: 2089424-10-0

N-[(1S)-1-[1,1′-Biphenyl]-2-yl-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-benzamide

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 100mg In stock Shanghai Inquiry
Batchno.20250307 250mg In stock Shanghai Inquiry
Batchno.20260304 25mg In stock Shanghai Inquiry
Batchno.20250612 50mg In stock Shanghai Inquiry
  • Product code: SSC-098324
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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: 0.1g, 0.5g, 1g
  • 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 2089424-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.5g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2089424-10-0 / N-[(1S)-2-diphenylphosphanyl-1-(2-phenylphenyl)ethyl]-3,5-bis(trifluoromethyl)benzamide

Standard CAS: 2089424-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089424-10-0
Multi CAS
No
Molecular Formula
C35H26F6NOP
Molecular Weight
621.500000
Exact Mass
621.165620
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2[C@@H](CP(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C35H26F6NOP/c36-34(37,38)26-20-25(21-27(22-26)35(39,40)41)33(43)42-32(31-19-11-10-18-30(31)24-12-4-1-5-13-24)23-44(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-22,32H,23H2,(H,42,43)/t32-/m1/s1
InChIKey
WVVZDTNGVRESKN-JGCGQSQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.11
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
162.47
TPSA
29.1

LogP / Solubility

WLOGP
9
MLOGP
7.97
XLogP3
8.9
Consensus LogP
8.62
Log S (ESOL)
-9.34
Class (ESOL)
Insoluble
Log S (Ali)
-11.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
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)
-0.12

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
5.5

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