![CAS 2244985-34-8 5′-(4-formyl-3-hydroxyphenyl)-3,3”-dihydroxy-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2244985-34-8.gif)
CAS RN: 2244985-34-8
5′-(4-formyl-3-hydroxyphenyl)-3,3”-dihydroxy-[1,1′:3′,1”-terphenyl]-4,4”-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS2244985-34-8
- Purity/Analytical Methods: >99.0%
2244985-34-8 / 4-[3,5-bis(4-formyl-3-hydroxyphenyl)phenyl]-2-hydroxybenzaldehyde
Basic Information
CAS
2244985-34-8
Multi CAS
No
Molecular Formula
C27H18O6
Molecular Weight
438.400000
Exact Mass
438.110338
SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C=O)O)C4=CC(=C(C=C4)C=O)O)O)C=O
InChI
InChI=1S/C27H18O6/c28-13-19-4-1-16(10-25(19)31)22-7-23(17-2-5-20(14-29)26(32)11-17)9-24(8-22)18-3-6-21(15-30)27(33)12-18/h1-15,31-33H
InChIKey
RMKVMLNVWUSOSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
123.91
TPSA
111.9
LogP / Solubility
WLOGP
5.24
MLOGP
4.64
XLogP3
5.8
Consensus LogP
5.23
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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