CAS RN: 369378-17-6

“R,R-N,N’-bis[[2-(diphenylphosphino)phenyl]Methyl]-1,2-diphenyl-1,2-EthanediaMine”

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Batchno.20260128 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS369378-17-6
  • Purity/Analytical Methods: >99.0%
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369378-17-6 / (1R,2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

Standard CAS: 369378-17-6 Multi CAS: Yes

Basic Information

CAS
369378-17-6
Multi CAS
Yes
Molecular Formula
C52H46N2P2
Molecular Weight
760.900000
Exact Mass
760.313623
InChI
InChI=1S/C52H46N2P2/c1-7-23-41(24-8-1)51(53-39-43-27-19-21-37-49(43)55(45-29-11-3-12-30-45)46-31-13-4-14-32-46)52(42-25-9-2-10-26-42)54-40-44-28-20-22-38-50(44)56(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38,51-54H,39-40H2/t51-,52-/m1/s1
InChIKey
JMBTWUBNZRVXAU-YWSWRHJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
242.34
TPSA
24.06

LogP / Solubility

WLOGP
9.57
MLOGP
8.48
XLogP3
10.8
Consensus LogP
9.62
Log S (ESOL)
-10.23
Class (ESOL)
Insoluble
Log S (Ali)
-12.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.34
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)
-0.57

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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