C21H22Cl3N3O2
TL;DR: C21H22Cl3N3O2 (CAS 1225071-35-1) is a chemical compound with molecular formula C21H22Cl3N3O2 and molecular weight 453.07776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-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]acetamide
Also Known As: 2-phenyl-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}acetamide
Technical Specifications
| Molecular Formula | C21H22Cl3N3O2 |
| Molecular Weight | 453.07776 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.07776 Da |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(C(Cl)(Cl)Cl)NC(=O)CC4=CC=CC=C4 |
| InChIKey | DWGISBCDQKLHPH-BUWRGNEYSA-N |
Chemical Property Profile of C21H22Cl3N3O2
Property Insights of C21H22Cl3N3O2
The XLogP value of 3.6 indicates that C21H22Cl3N3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, C21H22Cl3N3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H22Cl3N3O2 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H22Cl3N3O2?
The CAS number of C21H22Cl3N3O2 is 1225071-35-1.
What is the molecular formula of C21H22Cl3N3O2?
The molecular formula of C21H22Cl3N3O2 is C21H22Cl3N3O2.
What is the molecular weight of C21H22Cl3N3O2?
The molecular weight of C21H22Cl3N3O2 is 453.07776 g/mol.
Where can I buy C21H22Cl3N3O2?
You can request a quote for C21H22Cl3N3O2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H22Cl3N3O2?
Yes, CoreyChem provides custom synthesis services for C21H22Cl3N3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.