![CAS 2590863-00-4 4′,4”’-(2,2-diphenylethene-1,1-diyl)bis([1,1′-biphenyl]-4-carboxylic acid) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2590863-00-4.gif)
CAS RN: 2590863-00-4
4′,4”’-(2,2-diphenylethene-1,1-diyl)bis([1,1′-biphenyl]-4-carboxylic acid)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251006 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250524 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251125 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260114 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260316 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250503 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2590863-00-4
- Purity/Analytical Methods: >99.0%
2590863-00-4 / 4-[4-[1-[4-(4-carboxyphenyl)phenyl]-2,2-diphenylethenyl]phenyl]benzoic acid
Basic Information
CAS
2590863-00-4
Multi CAS
No
Molecular Formula
C40H28O4
Molecular Weight
572.600000
Exact Mass
572.198759
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6
InChI
InChI=1S/C40H28O4/c41-39(42)35-23-15-29(16-24-35)27-11-19-33(20-12-27)38(37(31-7-3-1-4-8-31)32-9-5-2-6-10-32)34-21-13-28(14-22-34)30-17-25-36(26-18-30)40(43)44/h1-26H,(H,41,42)(H,43,44)
InChIKey
HFPAUAFNKHJNMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
36
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
175.58
TPSA
74.6
LogP / Solubility
WLOGP
9.42
MLOGP
8.34
XLogP3
10.3
Consensus LogP
9.35
Log S (ESOL)
-9.41
Class (ESOL)
Insoluble
Log S (Ali)
-11.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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