![CAS 2447529-64-6 3,3′-Bi-9H-carbazole, 9-[1,1′-biphenyl]-3-yl-9′-(4-bromophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2447529-64-6.gif)
CAS RN: 2447529-64-6
3,3′-Bi-9H-carbazole, 9-[1,1′-biphenyl]-3-yl-9′-(4-bromophenyl)-
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.20250905 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2447529-64-6
- Purity/Analytical Methods: >99.0%
2447529-64-6 / 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
Basic Information
CAS
2447529-64-6
Multi CAS
No
Molecular Formula
C42H27BrN2
Molecular Weight
639.600000
Exact Mass
638.135760
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)Br)C9=CC=CC=C93
InChI
InChI=1S/C42H27BrN2/c43-32-19-21-33(22-20-32)44-39-15-6-4-13-35(39)37-26-30(17-23-41(37)44)31-18-24-42-38(27-31)36-14-5-7-16-40(36)45(42)34-12-8-11-29(25-34)28-9-2-1-3-10-28/h1-27H
InChIKey
BRKPZCNUDSCGPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
193.69
TPSA
9.86
LogP / Solubility
WLOGP
11.98
MLOGP
10.59
XLogP3
12
Consensus LogP
11.52
Log S (ESOL)
-11.81
Class (ESOL)
Insoluble
Log S (Ali)
-13.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.24
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)
1.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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