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CAS 143668-57-9 N,N’-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[2-(diphenylphosphino)-BenzaMide molecular structure lightbox
CAS RN: 143668-57-9

N,N’-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[2-(diphenylphosphino)-BenzaMide

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260301 1g In stock Shanghai Inquiry
Batchno.20250720 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260122 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS143668-57-9
  • Purity/Analytical Methods: >99.0%
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143668-57-9 / 2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]-1,2-diphenylethyl]benzamide

Standard CAS: 143668-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143668-57-9
Multi CAS
No
Molecular Formula
C52H42N2O2P2
Molecular Weight
788.800000
Exact Mass
788.272153
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6P(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C52H42N2O2P2/c55-51(45-35-19-21-37-47(45)57(41-27-11-3-12-28-41)42-29-13-4-14-30-42)53-49(39-23-7-1-8-24-39)50(40-25-9-2-10-26-40)54-52(56)46-36-20-22-38-48(46)58(43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-38,49-50H,(H,53,55)(H,54,56)/t49-,50-/m0/s1
InChIKey
GAVLUHWIRDNCEW-WLTNIFSVSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
48
Fraction Csp3
0.04
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
243.59
TPSA
58.2

LogP / Solubility

WLOGP
8.85
MLOGP
7.85
XLogP3
10.6
Consensus LogP
9.1
Log S (ESOL)
-10.06
Class (ESOL)
Insoluble
Log S (Ali)
-12.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.69
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)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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