Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
16152-10-6 / 4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
Basic Information
CAS
16152-10-6
Multi CAS
No
Molecular Formula
C24H17N3
Molecular Weight
347.400000
Exact Mass
347.142248
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H17N3/c1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H
InChIKey
AOQKGYRILLEVJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
109.74
TPSA
30.71
LogP / Solubility
WLOGP
5.75
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
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
No
Log Kp (skin permeation)
-0.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H413 (95.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501
Customers Also Viewed
-
1,3-Di-9-carbazolylbenzene (purified by sublimation)
- CAS RN: 550378-78-4
- Product Code: SSC-162886
-
N-[[1,1′-Biphenyl]-4-yl]-9,9-dimethyl-N-[4-(9-phenyl-9H-carbazol-3-yl)phenyl]-9H-fluoren-2-amine
- CAS RN: 1242056-42-3
- Product Code: SSC-028047
-
-
2-(9,9′-Spirobi[fluoren]-2-yl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 1207176-84-8
- Product Code: SSC-021899
-
9-[3-(Dibenzofuran-2-yl)phenyl]-9H-carbazole
- CAS RN: 1338446-77-7
- Product Code: SSC-040870
-
![CAS 1242056-42-3 N-[[1,1′-Biphenyl]-4-yl]-9,9-dimethyl-N-[4-(9-phenyl-9H-carbazol-3-yl)phenyl]-9H-fluoren-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5435-jpgcontextbwfzdgvyfhjvb3r8mjeznjb8aw1hz2uvanblz3xonzyvagmxlzkxmdg3ntqxmzcxmtgvqju0mzuuanbnfdvjywmzzdu2ywjhywyyzgq1ntc5ytgwmtfinzu1odziymuymjc1nmfhytqxmzywmjcxmtjhotu1owyzntixzjm.jpeg)
![CAS 1207176-84-8 2-(9,9′-Spirobi[fluoren]-2-yl)-4,6-diphenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2512-jpgcontextbwfzdgvyfhjvb3r8ndexntz8aw1hz2uvanblz3xozjmvadg3lzg5mzixmzg0mtgymdyvudi1mtiuanbnfdy2ytbmzdbjnmqxode3mdziyznjotlhn2q4zdqxowi3ngy4ogi4mdmwmgq1ymnknjq4zwfkytm5ndviyzllngi.jpeg)
![CAS 1338446-77-7 9-[3-(Dibenzofuran-2-yl)phenyl]-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4919-jpgcontextbwfzdgvyfhjvb3r8mzg3mjh8aw1hz2uvanblz3xom2ivadjilzg5mzazndgznjc5mdivrdq5mtkuanbnfdc3nmvjzdhjztm5mgyyzgu5zjllngqzmmnkyzy2zjq2mdkxote0ota1ndzmywuwzdllzwezzdhizjqwodc3ogm.jpeg)
