2,5,6,7-tetrahydro-1H-azepin-2-one
TL;DR: 2,5,6,7-tetrahydro-1H-azepin-2-one (CAS 2228-79-7) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrahydroazepin-7-one
Also Known As: 6,7-Dihydro-1H-azepin-2(5H)-one, 1,5,6,7-Tetrahydro-2H-azepin-2-one, zlchem 1136, 1,2,3,4-tetrahydroazepin-7-one, azacyclohept-3-ene-2-one
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 2228-79-7 |
|---|---|
| SMILES | C1CC=CC(=O)NC1 |
| InChIKey | DGDYEWHHLLKNRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5,6,7-tetrahydro-1H-azepin-2-one (CAS 2228-79-7), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 1,2,3,4-tetrahydroazepin-7-one.
Chemical Property Profile of 2,5,6,7-tetrahydro-1H-azepin-2-one
Property Insights of 2,5,6,7-tetrahydro-1H-azepin-2-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,6,7-tetrahydro-1H-azepin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2,5,6,7-tetrahydro-1H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,6,7-tetrahydro-1H-azepin-2-one has 1 hydrogen bond donor(s) and 1 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 2,5,6,7-tetrahydro-1H-azepin-2-one?
The CAS number of 2,5,6,7-tetrahydro-1H-azepin-2-one is 2228-79-7.
What is the molecular formula of 2,5,6,7-tetrahydro-1H-azepin-2-one?
The molecular formula of 2,5,6,7-tetrahydro-1H-azepin-2-one is C6H9NO.
What is the molecular weight of 2,5,6,7-tetrahydro-1H-azepin-2-one?
The molecular weight of 2,5,6,7-tetrahydro-1H-azepin-2-one is 111.07 g/mol.
Where can I buy 2,5,6,7-tetrahydro-1H-azepin-2-one?
You can request a quote for 2,5,6,7-tetrahydro-1H-azepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6,7-tetrahydro-1H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6,7-tetrahydro-1H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.