![CAS 1392416-19-1 2′,5′-Dimethoxy[1,1′:4′,1”-terphenyl]-4,4”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1392416-19-1.gif)
CAS RN: 1392416-19-1
2′,5′-Dimethoxy[1,1′:4′,1”-terphenyl]-4,4”-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1392416-19-1
- Purity/Analytical Methods: >99.0%
1392416-19-1 / 4-[4-(4-carboxyphenyl)-2,5-dimethoxyphenyl]benzoic acid
Basic Information
CAS
1392416-19-1
Multi CAS
No
Molecular Formula
C22H18O6
Molecular Weight
378.400000
Exact Mass
378.110338
SMILES
COC1=CC(=C(C=C1C2=CC=C(C=C2)C(=O)O)OC)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C22H18O6/c1-27-19-11-18(14-5-9-16(10-6-14)22(25)26)20(28-2)12-17(19)13-3-7-15(8-4-13)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKey
GUIDAAAVTIRHLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.34
TPSA
93.06
LogP / Solubility
WLOGP
4.43
MLOGP
3.92
XLogP3
4.2
Consensus LogP
4.18
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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