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CAS 298695-62-2 N,N’-(1R)-[1,1′-binaphthalene]-2,2′-diylbis[2-(diphenylphosphino)-BenzaMide molecular structure lightbox
CAS RN: 298695-62-2

N,N’-(1R)-[1,1′-binaphthalene]-2,2′-diylbis[2-(diphenylphosphino)-BenzaMide

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260504 100mg Out of stock Inquiry
Batchno.20260111 1g Out of stock Inquiry
Batchno.20260618 250mg In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS298695-62-2
  • Purity/Analytical Methods: >99.0%
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298695-62-2 / 2-diphenylphosphanyl-N-[1-[2-[(2-diphenylphosphanylbenzoyl)amino]naphthalen-1-yl]naphthalen-2-yl]benzamide

Standard CAS: 298695-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
298695-62-2
Multi CAS
Yes
Molecular Formula
C58H42N2O2P2
Molecular Weight
860.900000
Exact Mass
860.272153
InChI
InChI=1S/C58H42N2O2P2/c61-57(49-33-17-19-35-53(49)63(43-23-5-1-6-24-43)44-25-7-2-8-26-44)59-51-39-37-41-21-13-15-31-47(41)55(51)56-48-32-16-14-22-42(48)38-40-52(56)60-58(62)50-34-18-20-36-54(50)64(45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-40H,(H,59,61)(H,60,62)
InChIKey
DQKIOHHUGWDBKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
56
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
273.09
TPSA
58.2

LogP / Solubility

WLOGP
11.68
MLOGP
10.36
XLogP3
13.1
Consensus LogP
11.71
Log S (ESOL)
-12.46
Class (ESOL)
Insoluble
Log S (Ali)
-15.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.27
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)
0.32

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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