![CAS 1774401-31-8 5′-(4-Carboxyphenyl)-2′-methyl[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1774401-31-8.gif)
CAS RN: 1774401-31-8
5′-(4-Carboxyphenyl)-2′-methyl[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylicacid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20251009 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260627 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20251119 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250509 | 5g | In stock | Chengdu | Inquiry |
- Product code: starshine_CAS1774401-31-8
- Purity/Analytical Methods: >99.0%
1774401-31-8 / 4-[3,5-bis(4-carboxyphenyl)-4-methylphenyl]benzoic acid
Basic Information
CAS
1774401-31-8
Multi CAS
No
Molecular Formula
C28H20O6
Molecular Weight
452.500000
Exact Mass
452.125988
SMILES
CC1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C28H20O6/c1-16-24(18-4-10-21(11-5-18)27(31)32)14-23(17-2-8-20(9-3-17)26(29)30)15-25(16)19-6-12-22(13-7-19)28(33)34/h2-15H,1H3,(H,29,30)(H,31,32)(H,33,34)
InChIKey
KRISVMCBVWGHGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
128.36
TPSA
111.9
LogP / Solubility
WLOGP
6.09
MLOGP
5.39
XLogP3
5.7
Consensus LogP
5.73
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
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)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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