7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
TL;DR: 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one (CAS 144537-23-5) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one
Also Known As: 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, AJ-091/33282028, 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
| SMILES | CC1(CNC(=O)C2=CC(=C(C=C2O1)OC)OC)C |
| InChIKey | SPWWAGPHPLQOBU-UHFFFAOYSA-N |
Chemical Property Profile of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
Property Insights of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one. With a topological polar surface area (TPSA) of 56.8 Ų, 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The CAS number of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is 144537-23-5.
What is the molecular formula of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The molecular formula of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is C13H17NO4.
What is the molecular weight of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The molecular weight of 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is 251.11575 g/mol.
Where can I buy 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
You can request a quote for 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
Yes, CoreyChem provides custom synthesis services for 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.