![CAS 201734-76-1 3′-(3,5-diformylphenyl)-[1,1′-biphenyl]-3,5-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201734-76-1.gif)
CAS RN: 201734-76-1
3′-(3,5-diformylphenyl)-[1,1′-biphenyl]-3,5-dicarbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS201734-76-1
- Purity/Analytical Methods: >99.0%
201734-76-1 / 5-[3-(3,5-diformylphenyl)phenyl]benzene-1,3-dicarbaldehyde
Basic Information
CAS
201734-76-1
Multi CAS
No
Molecular Formula
C22H14O4
Molecular Weight
342.300000
Exact Mass
342.089209
SMILES
C1=CC(=CC(=C1)C2=CC(=CC(=C2)C=O)C=O)C3=CC(=CC(=C3)C=O)C=O
InChI
InChI=1S/C22H14O4/c23-11-15-4-16(12-24)7-21(6-15)19-2-1-3-20(10-19)22-8-17(13-25)5-18(9-22)14-26/h1-14H
InChIKey
OBMHTVTWYFFIJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
98.86
TPSA
68.28
LogP / Solubility
WLOGP
4.27
MLOGP
3.78
XLogP3
3
Consensus LogP
3.68
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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