CAS RN: 2143095-89-8
4,4′-dihydroxybiphenyl-3,3′,5,5′-tetra(phenyl-4-carboxylic 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.20260424 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2143095-89-8
- Purity/Analytical Methods: >99.0%
2143095-89-8 / 4-[5-[3,5-bis(4-carboxyphenyl)-4-hydroxyphenyl]-3-(4-carboxyphenyl)-2-hydroxyphenyl]benzoic acid
Basic Information
CAS
2143095-89-8
Multi CAS
No
Molecular Formula
C40H26O10
Molecular Weight
666.600000
Exact Mass
666.152597
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2O)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C(=C4)C5=CC=C(C=C5)C(=O)O)O)C6=CC=C(C=C6)C(=O)O)C(=O)O
InChI
InChI=1S/C40H26O10/c41-35-31(21-1-9-25(10-2-21)37(43)44)17-29(18-32(35)22-3-11-26(12-4-22)38(45)46)30-19-33(23-5-13-27(14-6-23)39(47)48)36(42)34(20-30)24-7-15-28(16-8-24)40(49)50/h1-20,41-42H,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
InChIKey
PIOBQBFUDHYHTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
36
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
184.79
TPSA
189.66
LogP / Solubility
WLOGP
8.23
MLOGP
7.29
XLogP3
7.4
Consensus LogP
7.64
Log S (ESOL)
-9.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.9
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)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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