![CAS 331980-55-3 4′-(9H-carbazol-9-yl)-N-phenyl-[1,1′-biphenyl]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331980-55-3.gif)
CAS RN: 331980-55-3
4′-(9H-carbazol-9-yl)-N-phenyl-[1,1′-biphenyl]-4-amine
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.20250225 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS331980-55-3
- Purity/Analytical Methods: >99.0%
331980-55-3 / 4-(4-carbazol-9-ylphenyl)-N-phenylaniline
Basic Information
CAS
331980-55-3
Multi CAS
No
Molecular Formula
C30H22N2
Molecular Weight
410.500000
Exact Mass
410.178299
InChI
InChI=1S/C30H22N2/c1-2-8-24(9-3-1)31-25-18-14-22(15-19-25)23-16-20-26(21-17-23)32-29-12-6-4-10-27(29)28-11-5-7-13-30(28)32/h1-21,31H
InChIKey
DPPUCHIVZNMDEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
135.94
TPSA
16.96
LogP / Solubility
WLOGP
8.19
MLOGP
7.24
XLogP3
8.2
Consensus LogP
7.88
Log S (ESOL)
-8
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.59
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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