![CAS 1397264-18-4 [1,1′:3′,1”-Terphenyl]-4,4”-dicarboxylic acid,5′-(4-carboxy-3-hydroxyphenyl)-3,3”-dihydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1397264-18-4(2).gif)
CAS RN: 1397264-18-4
[1,1′:3′,1”-Terphenyl]-4,4”-dicarboxylic acid,5′-(4-carboxy-3-hydroxyphenyl)-3,3”-dihydroxy-
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.20250802 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251015 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260222 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260124 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260609 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1397264-18-4
- Purity/Analytical Methods: >99.0%
1397264-18-4 / 4-[3,5-bis(4-carboxy-3-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid
Basic Information
CAS
1397264-18-4
Multi CAS
No
Molecular Formula
C27H18O9
Molecular Weight
486.400000
Exact Mass
486.095082
SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C(=O)O)O)C4=CC(=C(C=C4)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C27H18O9/c28-22-10-13(1-4-19(22)25(31)32)16-7-17(14-2-5-20(26(33)34)23(29)11-14)9-18(8-16)15-3-6-21(27(35)36)24(30)12-15/h1-12,28-30H,(H,31,32)(H,33,34)(H,35,36)
InChIKey
URKZQQMHESIKRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
128.62
TPSA
172.59
LogP / Solubility
WLOGP
4.9
MLOGP
4.35
XLogP3
6
Consensus LogP
5.08
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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