CAS RN: 1221238-03-4
4-BPBPC
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.20250517 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221238-03-4
- Purity/Analytical Methods: >99.0%
1221238-03-4 / 3-bromo-6-phenyl-9-(4-phenylphenyl)carbazole
Basic Information
CAS
1221238-03-4
Multi CAS
No
Molecular Formula
C30H20BrN
Molecular Weight
474.400000
Exact Mass
473.077910
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=CC=C5)C6=C3C=CC(=C6)Br
InChI
InChI=1S/C30H20BrN/c31-25-14-18-30-28(20-25)27-19-24(22-9-5-2-6-10-22)13-17-29(27)32(30)26-15-11-23(12-16-26)21-7-3-1-4-8-21/h1-20H
InChIKey
SPKROVJEQKGWPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
139.35
TPSA
4.93
LogP / Solubility
WLOGP
8.88
MLOGP
7.85
XLogP3
8.9
Consensus LogP
8.54
Log S (ESOL)
-8.89
Class (ESOL)
Insoluble
Log S (Ali)
-9.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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