CAS RN: 2446214-54-4
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2446214-54-4
- Purity/Analytical Methods: >99.0%
2446214-54-4 / 4-[9-[3,6-bis(4-formylphenyl)carbazol-9-yl]-6-(4-formylphenyl)carbazol-3-yl]benzaldehyde
Basic Information
CAS
2446214-54-4
Multi CAS
No
Molecular Formula
C52H32N2O4
Molecular Weight
748.800000
Exact Mass
748.236208
SMILES
C1=CC(=CC=C1C=O)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=C(C=C5)C=O)N6C7=C(C=C(C=C7)C8=CC=C(C=C8)C=O)C9=C6C=CC(=C9)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C52H32N2O4/c55-29-33-1-9-37(10-2-33)41-17-21-49-45(25-41)46-26-42(38-11-3-34(30-56)4-12-38)18-22-50(46)53(49)54-51-23-19-43(39-13-5-35(31-57)6-14-39)27-47(51)48-28-44(20-24-52(48)54)40-15-7-36(32-58)8-16-40/h1-32H
InChIKey
KPSVUEWICSSXAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
50
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
232.98
TPSA
78.14
LogP / Solubility
WLOGP
12.13
MLOGP
10.74
XLogP3
11.2
Consensus LogP
11.36
Log S (ESOL)
-12.17
Class (ESOL)
Insoluble
Log S (Ali)
-14.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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