![CAS 1228047-99-1 5′-(3,5-dicarboxyphenyl)-[1,1′:3′,1”-terphenyl]-3,3”,5,5”-tetracarboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228047-99-1.gif)
CAS RN: 1228047-99-1
5′-(3,5-dicarboxyphenyl)-[1,1′:3′,1”-terphenyl]-3,3”,5,5”-tetracarboxylicacid
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.20251005 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250709 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250212 | 250mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260401 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260309 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1228047-99-1
- Purity/Analytical Methods: >99.0%
1228047-99-1 / 5-[3,5-bis(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
1228047-99-1
Multi CAS
No
Molecular Formula
C30H18O12
Molecular Weight
570.500000
Exact Mass
570.079826
SMILES
C1=C(C=C(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC(=CC(=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C30H18O12/c31-25(32)19-4-16(5-20(10-19)26(33)34)13-1-14(17-6-21(27(35)36)11-22(7-17)28(37)38)3-15(2-13)18-8-23(29(39)40)12-24(9-18)30(41)42/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKey
PWBJLRXVXCABNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
144.51
TPSA
223.8
LogP / Solubility
WLOGP
4.88
MLOGP
4.34
XLogP3
4
Consensus LogP
4.41
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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