[email protected]
CAS 1426143-77-2 2,2′-(4,4′-(Phenylphosphoryl)bis(4,1-phenylene))bis(1-phenyl-1H -benzo[d]imidazole) molecular structure lightbox
CAS RN: 1426143-77-2

2,2′-(4,4′-(Phenylphosphoryl)bis(4,1-phenylene))bis(1-phenyl-1H -benzo[d]imidazole)

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260302 100mg Out of stock Inquiry
Batchno.20250302 1g Out of stock Inquiry
Batchno.20251017 250mg Out of stock Inquiry
  • Product code: starshine_CAS1426143-77-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1426143-77-2 / 1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole

Standard CAS: 1426143-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426143-77-2
Multi CAS
No
Molecular Formula
C44H31N4OP
Molecular Weight
662.700000
Exact Mass
662.223549
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)P(=O)(C5=CC=CC=C5)C6=CC=C(C=C6)C7=NC8=CC=CC=C8N7C9=CC=CC=C9
InChI
InChI=1S/C44H31N4OP/c49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35/h1-31H
InChIKey
AGKXFVABDARJOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
48
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
205.96
TPSA
52.71

LogP / Solubility

WLOGP
9.34
MLOGP
8.27
XLogP3
9.7
Consensus LogP
9.1
Log S (ESOL)
-10.08
Class (ESOL)
Insoluble
Log S (Ali)
-11.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.56
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)
-0.13

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
7

Customers Also Viewed

Get In Touch

Contact Us