8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
TL;DR: 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one (CAS 144537-22-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one
Also Known As: 8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one, 8-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one, AJ-091/33282026, 8-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.596 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 426.2721 |
Chemical Identifiers
| CAS Number | 144537-22-4 |
|---|---|
| SMILES | CC1(CNC(=O)C2=C(O1)C=C(C=C2)OC)C |
Product Overview
8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one (CAS 144537-22-4), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 8-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one.
Chemical Property Profile of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
Property Insights of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
The XLogP value of 1.596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one. With a topological polar surface area (TPSA) of 47.56 Ų, 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one 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
Frequently Asked Questions
What is the CAS number of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one?
The CAS number of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one is 144537-22-4.
What is the molecular formula of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one?
The molecular formula of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one is C12H15NO3.
What is the molecular weight of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one?
The molecular weight of 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one is 221.11 g/mol.
Where can I buy 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one?
You can request a quote for 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.