2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one
TL;DR: 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one (CAS 703-51-5) 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.
3,4-dihydro-2H-1,4-benzoxazepin-5-one
Also Known As: 3,4-dihydro-1,4-benzoxazepin-5(2H)-one, 3,4-Dihydrobenzo[f][1,4]oxazepin-5(2H)-one, 3,4-dihydro-2H-1,4-benzoxazepin-5-one, 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one, 2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 703-51-5 |
|---|---|
| SMILES | C1COC2=CC=CC=C2C(=O)N1 |
| InChIKey | FGKQHXRVPDLTDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one (CAS 703-51-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 3,4-dihydro-2H-1,4-benzoxazepin-5-one.
Chemical Property Profile of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one
Property Insights of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one. With a topological polar surface area (TPSA) of 38.3 Ų, 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, 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-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 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one?
The CAS number of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one is 703-51-5.
What is the molecular formula of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one?
The molecular formula of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one is C9H9NO2.
What is the molecular weight of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one?
The molecular weight of 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one is 163.06 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one?
You can request a quote for 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 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-1,4-benzoxazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.