CAS RN: 51870-56-5
N,N’-Bis(tri-p-tolylphosphoranylidene)benzene-1,4-diamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB6042
- Purity/Analytical Methods: >95.0%(N)
51870-56-5 / tris(4-methylphenyl)-[4-[[tris(4-methylphenyl)-lambda5-phosphanylidene]amino]phenyl]imino-lambda5-phosphane
Basic Information
CAS
51870-56-5
Multi CAS
No
Molecular Formula
C48H46N2P2
Molecular Weight
712.800000
Exact Mass
712.313623
InChI
InChI=1S/C48H46N2P2/c1-35-7-23-43(24-8-35)51(44-25-9-36(2)10-26-44,45-27-11-37(3)12-28-45)49-41-19-21-42(22-20-41)50-52(46-29-13-38(4)14-30-46,47-31-15-39(5)16-32-47)48-33-17-40(6)18-34-48/h7-34H,1-6H3
InChIKey
BGJWJTLJTUQIEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
42
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
229.34
TPSA
24.72
LogP / Solubility
WLOGP
11.16
MLOGP
9.88
XLogP3
13.2
Consensus LogP
11.41
Log S (ESOL)
-11.36
Class (ESOL)
Insoluble
Log S (Ali)
-13.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.51
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)
0.85
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
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