CAS RN: 42573-57-9
2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-150903
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
42573-57-9 / 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Basic Information
CAS
42573-57-9
Multi CAS
Yes
Molecular Formula
C14H9CL6N3O
Molecular Weight
447.900000
Exact Mass
446.884728
InChI
InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3
InChIKey
MCNPOZMLKGDJGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
100.22
TPSA
47.9
LogP / Solubility
WLOGP
5.7
MLOGP
5.05
XLogP3
5.6
Consensus LogP
5.45
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 156360-76-8 2-[2-(5-Methylfuran-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1209-jpgcontextbwfzdgvyfhjvb3r8mjk2otr8aw1hz2uvanblz3xoyjivadg1lzg5mzezodk5mze1ntavtteymdkuanbnfduxmtflnzmwmjnkm2jimzljnzkymdc2mtbkmddjm2i1nmjlnde0ndg1zjrmmjbinjziodm5yjfhnmq2ymizyjk.jpeg)