![CAS 1383925-31-2 [1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid,5′,5”-bis(4-carboxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383925-31-2.gif)
CAS RN: 1383925-31-2
[1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid,5′,5”-bis(4-carboxyphenyl)-
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.20251112 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS1383925-31-2
- Purity/Analytical Methods: >99.0%
1383925-31-2 / 4-[3-[3,5-bis(4-carboxyphenyl)phenyl]-5-(4-carboxyphenyl)phenyl]benzoic acid
Basic Information
CAS
1383925-31-2
Multi CAS
No
Molecular Formula
C40H26O8
Molecular Weight
634.600000
Exact Mass
634.162768
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O)C(=O)O
InChI
InChI=1S/C40H26O8/c41-37(42)27-9-1-23(2-10-27)31-17-32(24-3-11-28(12-4-24)38(43)44)20-35(19-31)36-21-33(25-5-13-29(14-6-25)39(45)46)18-34(22-36)26-7-15-30(16-8-26)40(47)48/h1-22H,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey
OMMYHUPHWRFAPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
36
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
181.46
TPSA
149.2
LogP / Solubility
WLOGP
8.81
MLOGP
7.81
XLogP3
8.2
Consensus LogP
8.27
Log S (ESOL)
-9.29
Class (ESOL)
Insoluble
Log S (Ali)
-11.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.18
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)
-0.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
![CAS 1383927-19-2 ETHYL 4-(4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)BENZOATE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
ETHYL 4-(4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)BENZOATE
- CAS RN: 1383927-19-2
- Product Code: SSC-048307
-
N-Acetyl -L-Aspartic Acid-d3
- CAS RN: 1383929-94-9
- Product Code: starshine_CAS1383929-94-9
- Purity/Analytical method: >99.0%
-
-
TERT-BUTYL 4-(4-BROMO-2-NITROPHENYLAMINO) PIPERIDINE-1-CARBOXYLATE
- CAS RN: 1383968-84-0
- Product Code: SSC-048312
-
Tinospinoside C
- CAS RN: 1383977-51-2
- Product Code: starshine_CAS1383977-51-2
- Purity/Analytical method: >99.0%
-
Bis-aminooxy-PEG7
- CAS RN: 1383980-52-6
- Product Code: starshine_CAS1383980-52-6
- Purity/Analytical method: >99.0%
![CAS 1383927-19-2 ETHYL 4-(4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)BENZOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383927-19-2.gif)
