![CAS 2226923-73-3 4′,4”’-(phenylazanediyl)bis(([1,1′-biphenyl]-3,5-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2226923-73-3.gif)
CAS RN: 2226923-73-3
4′,4”’-(phenylazanediyl)bis(([1,1′-biphenyl]-3,5-dicarboxylic acid))
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2226923-73-3
- Purity/Analytical Methods: >99.0%
2226923-73-3 / 5-[4-(N-[4-(3,5-dicarboxyphenyl)phenyl]anilino)phenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
2226923-73-3
Multi CAS
No
Molecular Formula
C34H23NO8
Molecular Weight
573.500000
Exact Mass
573.142367
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=C(C=C4)C5=CC(=CC(=C5)C(=O)O)C(=O)O
InChI
InChI=1S/C34H23NO8/c36-31(37)24-14-22(15-25(18-24)32(38)39)20-6-10-29(11-7-20)35(28-4-2-1-3-5-28)30-12-8-21(9-13-30)23-16-26(33(40)41)19-27(17-23)34(42)43/h1-19H,(H,36,37)(H,38,39)(H,40,41)(H,42,43)
InChIKey
GAVSBPMLXPLVNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
30
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
159.83
TPSA
152.44
LogP / Solubility
WLOGP
7.28
MLOGP
6.45
XLogP3
6.5
Consensus LogP
6.74
Log S (ESOL)
-7.91
Class (ESOL)
Insoluble
Log S (Ali)
-9.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.51
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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