hexahydro-3-(methylamino)-2H-azepin-2-one
TL;DR: hexahydro-3-(methylamino)-2H-azepin-2-one (CAS 65796-91-0) is a chemical compound with molecular formula C7H14N2O and molecular weight 142.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylamino)azepan-2-one
Also Known As: 3-(methylamino)azepan-2-one, EINECS 265-927-7, Hexahydro-3-(methylamino)-2H-azepin-2-one, 3-(methylamino)-2-azepanone, hexahydro-3- -2H-azepin-2-one
| Molecular Formula | C7H14N2O |
|---|---|
| Molecular Weight | 142.11 g/mol |
| LogP | -0.1255 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.11061 |
| Heavy Atoms | 10 |
| Complexity | 124.77451 |
Chemical Identifiers
| CAS Number | 65796-91-0 |
|---|---|
| SMILES | CNC1CCCCNC1=O |
Product Overview
hexahydro-3-(methylamino)-2H-azepin-2-one (CAS 65796-91-0), with molecular formula C7H14N2O and molecular weight 142.11 g/mol. IUPAC: 3-(methylamino)azepan-2-one.
Chemical Property Profile of hexahydro-3-(methylamino)-2H-azepin-2-one
Property Insights of hexahydro-3-(methylamino)-2H-azepin-2-one
The XLogP value of -0.1255 indicates that hexahydro-3-(methylamino)-2H-azepin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.13 Ų, hexahydro-3-(methylamino)-2H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexahydro-3-(methylamino)-2H-azepin-2-one has 2 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 hexahydro-3-(methylamino)-2H-azepin-2-one?
The CAS number of hexahydro-3-(methylamino)-2H-azepin-2-one is 65796-91-0.
What is the molecular formula of hexahydro-3-(methylamino)-2H-azepin-2-one?
The molecular formula of hexahydro-3-(methylamino)-2H-azepin-2-one is C7H14N2O.
What is the molecular weight of hexahydro-3-(methylamino)-2H-azepin-2-one?
The molecular weight of hexahydro-3-(methylamino)-2H-azepin-2-one is 142.11 g/mol.
Where can I buy hexahydro-3-(methylamino)-2H-azepin-2-one?
You can request a quote for hexahydro-3-(methylamino)-2H-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 hexahydro-3-(methylamino)-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for hexahydro-3-(methylamino)-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.