CAS RN: 2762493-66-1
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2762493-66-1
- Purity/Analytical Methods: >99.0%
2762493-66-1 / 5-[4-[1,2,2-tris[4-(3,5-diformylphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarbaldehyde
Basic Information
CAS
2762493-66-1
Multi CAS
Yes
Molecular Formula
C58H36O8
Molecular Weight
860.900000
Exact Mass
860.241018
InChI
InChI=1S/C58H36O8/c59-29-37-17-38(30-60)22-53(21-37)45-1-9-49(10-2-45)57(50-11-3-46(4-12-50)54-23-39(31-61)18-40(24-54)32-62)58(51-13-5-47(6-14-51)55-25-41(33-63)19-42(26-55)34-64)52-15-7-48(8-16-52)56-27-43(35-65)20-44(28-56)36-66/h1-36H
InChIKey
ZWBOLASMDJUAGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Aromatic heavy atom count
48
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
255.63
TPSA
136.56
LogP / Solubility
WLOGP
11.86
MLOGP
10.52
XLogP3
10.2
Consensus LogP
10.86
Log S (ESOL)
-12.13
Class (ESOL)
Insoluble
Log S (Ali)
-15.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.45
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
6.5
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