![CAS 1459128-78-9 2′,5′-Dimethoxy-[1,1′:4′,1”-terphenyl]-3,3”,5,5”-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/39698900.png)
CAS RN: 1459128-78-9
2′,5′-Dimethoxy-[1,1′:4′,1”-terphenyl]-3,3”,5,5”-tetracarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND914207
1459128-78-9 / 5-[4-(3,5-dicarboxyphenyl)-2,5-dimethoxyphenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
1459128-78-9
Multi CAS
No
Molecular Formula
C24H18O10
Molecular Weight
466.400000
Exact Mass
466.089997
SMILES
COC1=CC(=C(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)OC)C3=CC(=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C24H18O10/c1-33-19-9-18(12-5-15(23(29)30)8-16(6-12)24(31)32)20(34-2)10-17(19)11-3-13(21(25)26)7-14(4-11)22(27)28/h3-10H,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey
JJBBURGPYMYVHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
118.26
TPSA
167.66
LogP / Solubility
WLOGP
3.83
MLOGP
3.4
XLogP3
3.2
Consensus LogP
3.48
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS145-39-1
- Purity/Analytical method: >99.0%
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8,8′-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bisnaphthalene-1,3,5-trisulphonic acid
- CAS RN: 145-63-1
- Product Code: starshine_CAS145-63-1
- Purity/Analytical method: >99.0%
![CAS 145-63-1 8,8′-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bisnaphthalene-1,3,5-trisulphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145-63-1.gif)