2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate
TL;DR: 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate (CAS 1211311-95-3) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) 2-(2-oxoazepan-1-yl)acetate
Also Known As: 2-Anilino-2-oxoethyl (2-oxoazepan-1-yl)acetate, (2-anilino-2-oxoethyl) 2-(2-oxoazepan-1-yl)acetate, 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 1.5709 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 530.20715 |
Chemical Identifiers
| CAS Number | 1211311-95-3 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC=CC=C2 |
Product Overview
2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate (CAS 1211311-95-3), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: (2-anilino-2-oxoethyl) 2-(2-oxoazepan-1-yl)acetate.
Chemical Property Profile of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate
Property Insights of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate
The XLogP value of 1.5709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate. Following Lipinski's Rule of Five, 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate has 1 hydrogen bond donor(s) and 4 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-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate?
The CAS number of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate is 1211311-95-3.
What is the molecular formula of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate?
The molecular formula of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate is C16H20N2O4.
What is the molecular weight of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate?
The molecular weight of 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate is 304.14 g/mol.
Where can I buy 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate?
You can request a quote for 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(phenylamino)ethyl hexahydro-2-oxo-1H-azepine-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.