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N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
TL;DR: N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine (CAS 84762-61-8) is a chemical compound with molecular formula C17H12N4O and molecular weight 288.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
Also Known As: N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine, AH-262/34398064, N-phenyl-N-pyrimido[4,5-b][1,4]benzoxazepin-4-ylamine, N-phenylbenzo[f]pyrimido[4,5-b][1,4]oxazepin-4-amine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H12N4O |
| Molecular Weight | 288.1011 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1011 Da |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
| SMILES | C1=CC=C(C=C1)NC2=C3C(=NC=N2)OC4=CC=CC=C4C=N3 |
| InChIKey | SINOSSINPUUMEM-UHFFFAOYSA-N |
Chemical Property Profile of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
Property Insights of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
The XLogP value of 3.8 indicates that N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine 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
What is the CAS number of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The CAS number of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine is 84762-61-8.
What is the molecular formula of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The molecular formula of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine is C17H12N4O.
What is the molecular weight of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The molecular weight of N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine is 288.1011 g/mol.
Where can I buy N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine?
You can request a quote for N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine?
Yes, CoreyChem provides custom synthesis services for N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.