AT 584
TL;DR: AT 584 (CAS 16810-17-6) is a chemical compound with molecular formula C18H26BrCl2N5O and molecular weight 477.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
Also Known As: AT 584, 1-(p-(Bis(2-chloroethyl)amino)phenacyl)-3,5,7-triaza-1-azoniaadamantane bromide, Hexamethylenetetramine salt of p-(bis(2-chloroethyl)amino)-alpha-bromoacetophenone, 1-(2-(4-(Bis(2-chloroethyl)amino)phenyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1(sup 3,7))decane bromide, 1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;bromide
Technical Specifications
| Molecular Formula | C18H26BrCl2N5O |
| Molecular Weight | 477.0698 g/mol |
| XLogP | -1.33 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.0698 Da |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.[Br-] |
| InChIKey | NPZCJJUTUDMOHU-UHFFFAOYSA-M |
Chemical Property Profile of AT 584
Property Insights of AT 584
The XLogP value of -1.33 indicates that AT 584 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.0 Ų, AT 584 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT 584 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AT 584?
The CAS number of AT 584 is 16810-17-6.
What is the molecular formula of AT 584?
The molecular formula of AT 584 is C18H26BrCl2N5O.
What is the molecular weight of AT 584?
The molecular weight of AT 584 is 477.0698 g/mol.
Where can I buy AT 584?
You can request a quote for AT 584 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AT 584?
Yes, CoreyChem provides custom synthesis services for AT 584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.