CAS RN: 2768855-07-6
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260521 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS2768855-07-6
- Purity/Analytical Methods: >99.0%
2768855-07-6 / 4-[3-[3,5-bis(4-formylphenyl)phenyl]-5-(4-formylphenyl)phenyl]benzaldehyde
Basic Information
CAS
2768855-07-6
Multi CAS
No
Molecular Formula
C40H26O4
Molecular Weight
570.600000
Exact Mass
570.183109
InChI
InChI=1S/C40H26O4/c41-23-27-1-9-31(10-2-27)35-17-36(32-11-3-28(24-42)4-12-32)20-39(19-35)40-21-37(33-13-5-29(25-43)6-14-33)18-38(22-40)34-15-7-30(26-44)8-16-34/h1-26H
InChIKey
XADDJJPWFGLDEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
36
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
175.17
TPSA
68.28
LogP / Solubility
WLOGP
9.27
MLOGP
8.2
XLogP3
7.9
Consensus LogP
8.46
Log S (ESOL)
-9.23
Class (ESOL)
Insoluble
Log S (Ali)
-10.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.14
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)
0.38
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
5.5
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