CAS RN: 873655-81-3
4,4′,4”,4”’-(1,4-phenylenebis(azanetriyl))tetrabenzoic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250630 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS873655-81-3
- Purity/Analytical Methods: >99.0%
873655-81-3 / 4-(4-carboxy-N-[4-(4-carboxy-N-(4-carboxyphenyl)anilino)phenyl]anilino)benzoic acid
Basic Information
CAS
873655-81-3
Multi CAS
No
Molecular Formula
C34H24N2O8
Molecular Weight
588.600000
Exact Mass
588.153266
InChI
InChI=1S/C34H24N2O8/c37-31(38)21-1-9-25(10-2-21)35(26-11-3-22(4-12-26)32(39)40)29-17-19-30(20-18-29)36(27-13-5-23(6-14-27)33(41)42)28-15-7-24(8-16-28)34(43)44/h1-20H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKey
UBNQFWCYYJTPNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
30
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
163.65
TPSA
155.68
LogP / Solubility
WLOGP
7.42
MLOGP
6.58
XLogP3
6.5
Consensus LogP
6.83
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-9.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
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)
-1.04
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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