CAS RN: 89756-88-7
1,3-Bis(diphenylphosphinomethyl)benzene
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250420 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS89756-88-7
- Purity/Analytical Methods: >99.0%
89756-88-7 / [3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
Basic Information
CAS
89756-88-7
Multi CAS
No
Molecular Formula
C32H28P2
Molecular Weight
474.500000
Exact Mass
474.166625
InChI
InChI=1S/C32H28P2/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-26H2
InChIKey
QLSOZHFOFHARBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
8
Molar refractivity
151.99
TPSA
0.0000
LogP / Solubility
WLOGP
6.95
MLOGP
6.15
XLogP3
7.2
Consensus LogP
6.77
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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