![CAS 2376339-70-5 4”,5”-bis(4′-formyl-[1,1′-biphenyl]-4-yl)-[1,1′:4′,1”:2”,1”’:4”’,1””-quinquephenyl]-4,4””-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2376339-70-5.gif)
CAS RN: 2376339-70-5
4”,5”-bis(4′-formyl-[1,1′-biphenyl]-4-yl)-[1,1′:4′,1”:2”,1”’:4”’,1””-quinquephenyl]-4,4””-dicarbaldehyde
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.20250608 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2376339-70-5
- Purity/Analytical Methods: >99.0%
2376339-70-5 / 4-[4-[2,4,5-tris[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzaldehyde
Basic Information
CAS
2376339-70-5
Multi CAS
No
Molecular Formula
C58H38O4
Molecular Weight
798.900000
Exact Mass
798.277010
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C3=CC(=C(C=C3C4=CC=C(C=C4)C5=CC=C(C=C5)C=O)C6=CC=C(C=C6)C7=CC=C(C=C7)C=O)C8=CC=C(C=C8)C9=CC=C(C=C9)C=O
InChI
InChI=1S/C58H38O4/c59-35-39-1-9-43(10-2-39)47-17-25-51(26-18-47)55-33-57(53-29-21-49(22-30-53)45-13-5-41(37-61)6-14-45)58(54-31-23-50(24-32-54)46-15-7-42(38-62)8-16-46)34-56(55)52-27-19-48(20-28-52)44-11-3-40(36-60)4-12-44/h1-38H
InChIKey
QZXYWFQUJZFYEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
54
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
251.48
TPSA
68.28
LogP / Solubility
WLOGP
14.27
MLOGP
12.63
XLogP3
12.8
Consensus LogP
13.23
Log S (ESOL)
-13.64
Class (ESOL)
Insoluble
Log S (Ali)
-16.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.14
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)
2.54
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
7
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![CAS 2376521-83-2 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-bis((R)-2-methyl-1-phenylpropoxy)-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2376521-83-2.gif)
![CAS 2376733-15-0 4-(5-bromo[1,1′-biphenyl]-2-yl)-dibenzofuran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2376733-15-0.gif)