CAS RN: 1610858-96-2
4′,4”,4”’,4””-(ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250427 | 1g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20251217 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250307 | 200mg | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250921 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260328 | 25g | In stock | Shandong | Inquiry |
| Batchno.20251208 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250802 | 5g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260601 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: starshine_CAS1610858-96-2
- Purity/Analytical Methods: >99.0%
1610858-96-2 / 4-[4-[1,2,2-tris[4-(4-carboxyphenyl)phenyl]ethenyl]phenyl]benzoic acid
Basic Information
CAS
1610858-96-2
Multi CAS
No
Molecular Formula
C54H36O8
Molecular Weight
812.900000
Exact Mass
812.241018
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C8=CC=C(C=C8)C(=O)O
InChI
InChI=1S/C54H36O8/c55-51(56)45-25-9-37(10-26-45)33-1-17-41(18-2-33)49(42-19-3-34(4-20-42)38-11-27-46(28-12-38)52(57)58)50(43-21-5-35(6-22-43)39-13-29-47(30-14-39)53(59)60)44-23-7-36(8-24-44)40-15-31-48(32-16-40)54(61)62/h1-32H,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKey
IIIWRSPHUBZZOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
48
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
4
Molar refractivity
240.37
TPSA
149.2
LogP / Solubility
WLOGP
12.15
MLOGP
10.77
XLogP3
12.6
Consensus LogP
11.84
Log S (ESOL)
-12.32
Class (ESOL)
Insoluble
Log S (Ali)
-15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.47
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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