![CAS 31277-98-2 Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3224-jpgcontextbwfzdgvyfhjvb3r8ndi5ndl8aw1hz2uvanblz3xozmqvagjklzg5mjg5mjiwndizotgvqjmymjquanbnfdviogvmytfmmzfky2u1ythhntlin2rlndnhnzuxy2rlnwm1yjk4nmq2nwm0ymm5mdu1ngvmzjvjzjzjm2q5yje.jpeg)
CAS RN: 31277-98-2
Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
- Product code: ICTB3224
- Purity/Analytical Methods: >96.0%(T)
31277-98-2 / bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
Basic Information
CAS
31277-98-2
Multi CAS
Yes
Molecular Formula
C52H48P4PD
Molecular Weight
903.200000
Exact Mass
902.174130
InChI
InChI=1S/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
InChIKey
FAFGMAGIYHHRKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
14
Molar refractivity
255.76
TPSA
0.0000
LogP / Solubility
WLOGP
10.5
MLOGP
9.33
XLogP3
10.5
Consensus LogP
10.11
Log S (ESOL)
-11.76
Class (ESOL)
Insoluble
Log S (Ali)
-14.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.93
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)
-0.77
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
6.5
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