CAS RN: 1258419-79-2
4,4′-(9H-carbazole-3,6-diyl)dibenzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250116 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1258419-79-2
- Purity/Analytical Methods: >99.0%
1258419-79-2 / 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid
Basic Information
CAS
1258419-79-2
Multi CAS
No
Molecular Formula
C26H17NO4
Molecular Weight
407.400000
Exact Mass
407.115758
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)NC4=C3C=C(C=C4)C5=CC=C(C=C5)C(=O)O)C(=O)O
InChI
InChI=1S/C26H17NO4/c28-25(29)17-5-1-15(2-6-17)19-9-11-23-21(13-19)22-14-20(10-12-24(22)27-23)16-3-7-18(8-4-16)26(30)31/h1-14,27H,(H,28,29)(H,30,31)
InChIKey
OCRAPMAUDXQSFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
25
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
120.6
TPSA
90.39
LogP / Solubility
WLOGP
6.05
MLOGP
5.35
XLogP3
5.7
Consensus LogP
5.7
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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