![CAS 1352578-30-3 4′,4”’,4””’,4”””’-methanetetrayltetrakis(4-hydroxy-[1,1′-biphenyl]-3-carbaldehyde) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352578-30-3.gif)
CAS RN: 1352578-30-3
4′,4”’,4””’,4”””’-methanetetrayltetrakis(4-hydroxy-[1,1′-biphenyl]-3-carbaldehyde)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1352578-30-3
- Purity/Analytical Methods: >99.0%
1352578-30-3 / 2-hydroxy-5-[4-[tris[4-(3-formyl-4-hydroxyphenyl)phenyl]methyl]phenyl]benzaldehyde
Basic Information
CAS
1352578-30-3
Multi CAS
No
Molecular Formula
C53H36O8
Molecular Weight
800.800000
Exact Mass
800.241018
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)O)C=O)C(C3=CC=C(C=C3)C4=CC(=C(C=C4)O)C=O)(C5=CC=C(C=C5)C6=CC(=C(C=C6)O)C=O)C7=CC=C(C=C7)C8=CC(=C(C=C8)O)C=O
InChI
InChI=1S/C53H36O8/c54-29-41-25-37(9-21-49(41)58)33-1-13-45(14-2-33)53(46-15-3-34(4-16-46)38-10-22-50(59)42(26-38)30-55,47-17-5-35(6-18-47)39-11-23-51(60)43(27-39)31-56)48-19-7-36(8-20-48)40-12-24-52(61)44(28-40)32-57/h1-32,58-61H
InChIKey
UXCIKBHOPWEHKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
48
Fraction Csp3
0.02
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
4
Molar refractivity
234.71
TPSA
149.2
LogP / Solubility
WLOGP
10.81
MLOGP
9.58
XLogP3
12.1
Consensus LogP
10.83
Log S (ESOL)
-11.41
Class (ESOL)
Insoluble
Log S (Ali)
-13.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.07
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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