![CAS 911383-51-2 (R)-3,3′-Bis(diphenylphosphanyl)-[1,1′-binapthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911383-51-2.gif)
CAS RN: 911383-51-2
(R)-3,3′-Bis(diphenylphosphanyl)-[1,1′-binapthalene]-2,2′-diol
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS911383-51-2
- Purity/Analytical Methods: >99.0%
911383-51-2 / 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
Basic Information
CAS
911383-51-2
Multi CAS
No
Molecular Formula
C44H32O2P2
Molecular Weight
654.700000
Exact Mass
654.187754
InChI
InChI=1S/C44H32O2P2/c45-43-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40(44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30,45-46H
InChIKey
DEKIKEOGVIPNPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
44
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
207.63
TPSA
40.46
LogP / Solubility
WLOGP
8.59
MLOGP
7.61
XLogP3
10.7
Consensus LogP
8.97
Log S (ESOL)
-9.53
Class (ESOL)
Insoluble
Log S (Ali)
-11.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.88
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.62
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
6.5
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