![CAS 142116-85-6 1-[4-(9H-Carbazol-9-yl)phenyl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3470-jpgcontextbwfzdgvyfhjvb3r8mtkyodl8aw1hz2uvanblz3xoyjmvaddilzkxmzewmzayodiynzavqzm0nzauanbnfgy1odflndy4ywi4ndc0mdaxnjc3odfmm2vhowyxyjy0ogjhmzq4nwzhoda2mde0zwq3mwy3nzexndq0ndmwzmq.jpeg)
CAS RN: 142116-85-6
1-[4-(9H-Carbazol-9-yl)phenyl]ethanone
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.20250424 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTC3470
- Purity/Analytical Methods: >98.0%(GC)
142116-85-6 / 1-(4-carbazol-9-ylphenyl)ethanone
Basic Information
CAS
142116-85-6
Multi CAS
No
Molecular Formula
C20H15NO
Molecular Weight
285.300000
Exact Mass
285.115364
SMILES
CC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H15NO/c1-14(22)15-10-12-16(13-11-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13H,1H3
InChIKey
MROKJEYKOKZQEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
90.79
TPSA
22
LogP / Solubility
WLOGP
4.99
MLOGP
4.4
XLogP3
4.7
Consensus LogP
4.7
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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