![6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione structure](/static/products/4778/477845-37-7.webp)
6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477845-37-7) is a chemical compound with molecular formula C21H19BrN4O3 and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(4-bromoanilino)prop-2-enoyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5-dione
Also Known As: 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione, 6-[3-(4-bromoanilino)prop-2-enoyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5-dione, 6-[3-[(4-bromophenyl)amino]prop-2-enoyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5-dione
| Molecular Formula | C21H19BrN4O3 |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 3.11904 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.06406 |
| Heavy Atoms | 29 |
| Complexity | 1203.904 |
Chemical Identifiers
| CAS Number | 477845-37-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)N(C(=O)C(=N2)C(=O)C=CNC3=CC=C(C=C3)Br)C)C |
Product Overview
6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477845-37-7), with molecular formula C21H19BrN4O3 and molecular weight 454.06 g/mol. IUPAC: 6-[3-(4-bromoanilino)prop-2-enoyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 3.11904 indicates that 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione is 477845-37-7.
What is the molecular formula of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione is C21H19BrN4O3.
What is the molecular weight of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione is 454.06 g/mol.
Where can I buy 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[3-(4-bromoanilino)acryloyl]-2-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.