4,5-dihydro-1,4-benzoxazepin-3(2H)-one
TL;DR: 4,5-dihydro-1,4-benzoxazepin-3(2H)-one (CAS 34844-80-9) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1,4-benzoxazepin-3-one
Also Known As: Histapyrrodine, 4,5-dihydro-1,4-benzoxazepin-3(2H)-one, 4,5-dihydro-1,4-benzoxazepin-3-one, 4,5-Dihydrobenzo[f][1,4]oxazepin-3(2H)-one, 2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.6952 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 280.15176 |
Chemical Identifiers
| CAS Number | 34844-80-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2OCC(=O)N1 |
Product Overview
4,5-dihydro-1,4-benzoxazepin-3(2H)-one (CAS 34844-80-9), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4,5-dihydro-1,4-benzoxazepin-3-one.
Chemical Property Profile of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Property Insights of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one
The XLogP value of 0.6952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dihydro-1,4-benzoxazepin-3(2H)-one. With a topological polar surface area (TPSA) of 38.33 Ų, 4,5-dihydro-1,4-benzoxazepin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dihydro-1,4-benzoxazepin-3(2H)-one has 1 hydrogen bond donor(s) and 2 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 4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The CAS number of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one is 34844-80-9.
What is the molecular formula of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The molecular formula of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one is C9H9NO2.
What is the molecular weight of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The molecular weight of 4,5-dihydro-1,4-benzoxazepin-3(2H)-one is 163.06 g/mol.
Where can I buy 4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
You can request a quote for 4,5-dihydro-1,4-benzoxazepin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dihydro-1,4-benzoxazepin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.