C20H19BrCl3N3O2
TL;DR: C20H19BrCl3N3O2 (CAS 1225071-53-3) is a chemical compound with molecular formula C20H19BrCl3N3O2 and molecular weight 516.9726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-[2,2,2-trichloro-1-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]benzamide
Also Known As: 2-bromo-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Technical Specifications
| Molecular Formula | C20H19BrCl3N3O2 |
| Molecular Weight | 516.9726 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.9726 Da |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(C(Cl)(Cl)Cl)NC(=O)C4=CC=CC=C4Br |
| InChIKey | ZPHZXCOYKBDYRZ-IFSDCGTNSA-N |
Chemical Property Profile of C20H19BrCl3N3O2
Property Insights of C20H19BrCl3N3O2
The XLogP value of 4.3 indicates that C20H19BrCl3N3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, C20H19BrCl3N3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H19BrCl3N3O2 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C20H19BrCl3N3O2?
The CAS number of C20H19BrCl3N3O2 is 1225071-53-3.
What is the molecular formula of C20H19BrCl3N3O2?
The molecular formula of C20H19BrCl3N3O2 is C20H19BrCl3N3O2.
What is the molecular weight of C20H19BrCl3N3O2?
The molecular weight of C20H19BrCl3N3O2 is 516.9726 g/mol.
Where can I buy C20H19BrCl3N3O2?
You can request a quote for C20H19BrCl3N3O2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H19BrCl3N3O2?
Yes, CoreyChem provides custom synthesis services for C20H19BrCl3N3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.